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Methyl (2E)-3-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-2-propenoate
SpectraBase Compound ID 2iIUIDUyTpJ
InChI InChI=1S/C13H18O2/c1-13(2)10-6-4-9(11(13)8-10)5-7-12(14)15-3/h4-5,7,10-11H,6,8H2,1-3H3/b7-5+/t10-,11-/m0/s1
InChIKey CUAHZEQLVOHXFZ-BZCKNUJPSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BDj9ZHCnOM
Name Methyl (2E)-3-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-2-propenoate
CAS Registry Number 67428-35-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-13(2)10-6-4-9(11(13)8-10)5-7-12(14)15-3/h4-5,7,10-11H,6,8H2,1-3H3/b7-5+/t10-,11-/m0/s1
InChIKey CUAHZEQLVOHXFZ-BZCKNUJPSA-N
Molecular Weight 206.285 g/mol
SMILES COC(=O)\C=C\C1=CC[C@]2(C[C@@]1(C2(C)C)[H])[H]
SPLASH splash10-05fu-4900000000-c8bd02dfdd7d12e86820
Source of Spectrum W5-16317-0-0
Synonyms 2-Propenoic acid, 3-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-, methyl ester, (E)- (E)-3-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)-2-propenoic acid methyl ester (E)-3-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)acrylic acid methyl ester Methyl (E)-3-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)prop-2-enoate
Wiley ID 1204675