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Acetic acid, (4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-2-ylidene)-, methyl ester, (1S)-
SpectraBase Compound ID 5bEsWOsePtp
InChI InChI=1S/C13H18O3/c1-12(2)9-5-6-13(12,3)11(15)8(9)7-10(14)16-4/h7,9H,5-6H2,1-4H3/b8-7+/t9-,13+/m0/s1
InChIKey SZUJGJXGGUDTPJ-OTDGQOLGSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23jZ4ApXVo
Name Acetic acid, (4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-2-ylidene)-, methyl ester, (1S)-
CAS Registry Number 59581-84-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-12(2)9-5-6-13(12,3)11(15)8(9)7-10(14)16-4/h7,9H,5-6H2,1-4H3/b8-7+/t9-,13+/m0/s1
InChIKey SZUJGJXGGUDTPJ-OTDGQOLGSA-N
Molecular Weight 222.284 g/mol
SMILES C1(\C([C@]2(C([C@]1(C)CC2)(C)C)[H])=C\C(=O)OC)=O
SPLASH splash10-004l-9400000000-2f6c95243267dd98afca
Source of Spectrum F-32-313-0
Synonyms (+)-3-Carbomethoxymethylene-2-bornanone Methyl (2E)-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-2-ylidene)ethanoate
Wiley ID 1222544