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Myrtenoic acid, butyl ester
SpectraBase Compound ID 6MIXwg7yqxJ
InChI InChI=1S/C14H22O2/c1-4-5-8-16-13(15)11-7-6-10-9-12(11)14(10,2)3/h7,10,12H,4-6,8-9H2,1-3H3
InChIKey ZPEFANASZOWLHF-UHFFFAOYSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2w0xTtoM5Rz
Name Myrtenoic acid, butyl ester
CAS Registry Number 62486-91-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-4-5-8-16-13(15)11-7-6-10-9-12(11)14(10,2)3/h7,10,12H,4-6,8-9H2,1-3H3
InChIKey ZPEFANASZOWLHF-UHFFFAOYSA-N
Molecular Weight 222.328 g/mol
SMILES CC1(C2CC=C(C1C2)C(=O)OCCCC)C
SPLASH splash10-0adl-9400000000-8b87700001511a6bf31c
Synonyms 6,6-Dimethyl-4-bicyclo[3.1.1]hept-3-enecarboxylic acid butyl ester 6,6-Dimethylbicyclo[3.1.1]hept-3-ene-4-carboxylic acid butyl ester Butyl 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate Butyl 6,6-dimethylbicyclo[3.1.1]hept-3-ene-4-carboxylate
Wiley ID 1495422