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Bicyclo[4.1.0]hept-5-ene-1-acetic acid, .alpha.-cyano-, ethyl ester
SpectraBase Compound ID 6gCH7lkHrJR
InChI InChI=1S/C12H15NO2/c1-2-15-11(14)10(8-13)12-6-4-3-5-9(12)7-12/h5,10H,2-4,6-7H2,1H3
InChIKey NKVYQSJIQYLNGZ-UHFFFAOYSA-N
Mol Weight 205.26 g/mol
Molecular Formula C12H15NO2
Exact Mass 205.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6yk7ZXE71px
Name Bicyclo[4.1.0]hept-5-ene-1-acetic acid, .alpha.-cyano-, ethyl ester
CAS Registry Number 78536-00-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO2
InChI InChI=1S/C12H15NO2/c1-2-15-11(14)10(8-13)12-6-4-3-5-9(12)7-12/h5,10H,2-4,6-7H2,1H3
InChIKey NKVYQSJIQYLNGZ-UHFFFAOYSA-N
Molecular Weight 205.257 g/mol
SMILES C12(C(=CCCC2)C1)C(C(=O)OCC)C#N
SPLASH splash10-0059-7900000000-64e268b84c044819acb3
Source of Spectrum F-37-3692-0
Synonyms Ethyl bicyclo[4.1.0]hept-5-en-1-yl(cyano)acetate Ethyl bicyclo[4.1.0]heptene-5-ylcyanoacetate
Wiley ID 1203407