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2-Propenoic acid, 3-(2,2,6-trimethyl-5-oxo-7-oxabicyclo[4.1.0]hept-1-yl)-, methyl ester, (Z)-
SpectraBase Compound ID JdPqN4Ikxyd
InChI InChI=1S/C13H18O4/c1-11(2)7-5-9(14)12(3)13(11,17-12)8-6-10(15)16-4/h6,8H,5,7H2,1-4H3/b8-6-
InChIKey HPZVKTBLYLSQKE-VURMDHGXSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lo10bvR2Zxi
Name 2-Propenoic acid, 3-(2,2,6-trimethyl-5-oxo-7-oxabicyclo[4.1.0]hept-1-yl)-, methyl ester, (Z)-
Alternate Name(s) (Z)-3-(2',2',6'-trimethyl-5'-oxo-1',6'-epoxy-1'-cyclohexyl)propionicacid methyl ester 7-Oxabicyclo[4.1.0]heptane, 2-propenoic acid deriv. Methyl (2Z)-3-(2,2,6-trimethyl-5-oxo-7-oxabicyclo[4.1.0]hept-1-yl)-2-propenoate
CAS Registry Number 70412-64-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-11(2)7-5-9(14)12(3)13(11,17-12)8-6-10(15)16-4/h6,8H,5,7H2,1-4H3/b8-6-
InChIKey HPZVKTBLYLSQKE-VURMDHGXSA-N
Molecular Weight 238.283 g/mol
SMILES C12(C(C(=O)CCC2(C)C)(C)O1)\C=C/C(=O)OC
SPLASH splash10-000l-3910000000-8ad35f5dc9aa3c381277
Source of Spectrum H-62-572-0
Wiley ID 1240473