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5-Bicyclo[2.2.1]hept-2-enecarboxylic acid tert-butyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

5-Bicyclo[2.2.1]hept-2-enecarboxylic acid tert-butyl ester
SpectraBase Compound ID 1VMXNlmzCEP
InChI InChI=1S/C12H18O2/c1-12(2,3)14-11(13)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3/t8-,9+,10-/m0/s1
InChIKey BZBMBZJUNPMEBD-AEJSXWLSSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID oV8gKEklLE
Name 5-Bicyclo[2.2.1]hept-2-enecarboxylic acid tert-butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.130679818 u
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-12(2,3)14-11(13)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3/t8-,9+,10-/m0/s1
InChIKey BZBMBZJUNPMEBD-AEJSXWLSSA-N
Molecular Weight 194.274 g/mol
SMILES C([C@@]1([C@@]2(C=C[C@](C1)(C2)[H])[H])[H])(OC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945651