rel-Ethyl (1R,2R,3R,4S)-3-(1-methylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate

CAS Registry Number®

116126-82-0
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CAS Name

rel-Ethyl (1R,2R,3R,4S)-3-(1-methylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate

Molecular Formula

C13H20O2

Molecular Mass

208.30

Cite this Page

rel-Ethyl (1R,2R,3R,4S)-3-(1-methylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=116126-82-0 (retrieved 2024-04-23) (CAS RN: 116126-82-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C13H20O2/c1-4-15-13(14)12-10-6-5-9(7-10)11(12)8(2)3/h5-6,8-12H,4,7H2,1-3H3/t9-,10+,11-,12-/s2

InChIKey

InChIKey=HJEFAEQTNTXLHL-IHABCUPINA-N

SMILES

C(OCC)(=O)[C@H]1[C@H]([C@@H](C)C)[C@]2(C[C@@]1(C=C2)[H])[H]

Canonical SMILES

O=C(OCC)C1C2C=CC(C2)C1C(C)C

Other Names for this Substance

  • Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (1R,2R,3R,4S)-rel-
  • Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (2-exo,3-endo)-
  • rel-Ethyl (1R,2R,3R,4S)-3-(1-methylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
  • Herbanate

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