For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(1S,4S,5R)-Methyl 4-(2-phenylethenyl)bicyclo[3.2.1]octa-2,6-dien-2-carboxylate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(1S,4S,5R)-Methyl 4-(2-phenylethenyl)bicyclo[3.2.1]octa-2,6-dien-2-carboxylate
SpectraBase Compound ID CccggqOzDZ8
InChI InChI=1S/C18H18O2/c1-20-18(19)17-12-15(14-9-10-16(17)11-14)8-7-13-5-3-2-4-6-13/h2-10,12,14-16H,11H2,1H3/b8-7+/t14-,15+,16+/m0/s1
InChIKey JTKKAHUZIOBTPK-UUWJMPJDSA-N
Mol Weight 266.34 g/mol
Molecular Formula C18H18O2
Exact Mass 266.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2KQPkKCpFbs
Name (1S,4S,5R)-Methyl 4-(2-phenylethenyl)bicyclo[3.2.1]octa-2,6-dien-2-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.130679818 u
Formula C18H18O2
InChI InChI=1S/C18H18O2/c1-20-18(19)17-12-15(14-9-10-16(17)11-14)8-7-13-5-3-2-4-6-13/h2-10,12,14-16H,11H2,1H3/b8-7+/t14-,15+,16+/m0/s1
InChIKey JTKKAHUZIOBTPK-UUWJMPJDSA-N
SMILES C1(=C[C@@](\C=C\C2=CC=CC=C2)([C@@]2(C[C@]1(C=C2)[H])[H])[H])C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.987631