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7-Octenoic acid, 3,3-dimethyl-, ethyl ester
SpectraBase Compound ID Bu2V4u3Jiba
InChI InChI=1S/C12H22O2/c1-5-7-8-9-12(3,4)10-11(13)14-6-2/h5H,1,6-10H2,2-4H3
InChIKey VABJZTBMGUWFHS-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlILMB4mzsZ
Name 7-Octenoic acid, 3,3-dimethyl-, ethyl ester
Alternate Name(s) Ethyl 3,3-dimethyl-7-octenoate 3,3-Dimethyl-7-octenoic acid ethyl ester 3,3-Dimethyloct-7-enoic acid ethyl ester Ethyl 3,3-dimethyloct-7-enoate
CAS Registry Number 35194-19-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-5-7-8-9-12(3,4)10-11(13)14-6-2/h5H,1,6-10H2,2-4H3
InChIKey VABJZTBMGUWFHS-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
SMILES C(CCC(CC(OCC)=O)(C)C)C=C
SPLASH splash10-090c-9200000000-888d2839063efeaa5136
Source of Spectrum SD-1981-0-0
Wiley ID 1195758