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1-Cycloheptene-1-carboxylic acid, 2-butyl-, methyl ester
SpectraBase Compound ID 5SHayagyyPd
InChI InChI=1S/C13H22O2/c1-3-4-8-11-9-6-5-7-10-12(11)13(14)15-2/h3-10H2,1-2H3
InChIKey CULONQRETFYZMQ-UHFFFAOYSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ETDIRCycC
Name 1-Cycloheptene-1-carboxylic acid, 2-butyl-, methyl ester
Alternate Name(s) Methyl 2-butyl-1-cycloheptene-1-carboxylate Methyl 2-n-pentyl-1-cycloheptene carboxylate
CAS Registry Number 71721-10-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-3-4-8-11-9-6-5-7-10-12(11)13(14)15-2/h3-10H2,1-2H3
InChIKey CULONQRETFYZMQ-UHFFFAOYSA-N
Molecular Weight 210.317 g/mol
SMILES C1(C(=O)OC)=C(CCCC)CCCCC1
SPLASH splash10-06te-5920000000-f5750cedb0aa0fbff81f
Source of Spectrum I-57-1439-5
Wiley ID 1209519