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2-Propenoic acid, 3-(4-chloro-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-, methyl ester, (E)-
SpectraBase Compound ID 31nxDynQTUR
InChI InChI=1S/C13H17ClO3/c1-8-9(5-6-11(15)17-4)13(2,3)7-10(14)12(8)16/h5-6,10H,7H2,1-4H3/b6-5+
InChIKey YCTRRNAFHXGFFW-AATRIKPKSA-N
Mol Weight 256.73 g/mol
Molecular Formula C13H17ClO3
Exact Mass 256.086622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpMcAMkEqZB
Name 2-Propenoic acid, 3-(4-chloro-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-, methyl ester, (E)-
Alternate Name(s) (E)-3-(4'-chloro-2',6',6'-trimethyl-3'-oxo-1'-cyclohexen-1'-yl)-2-propenoic acid methyl ester Methyl (2E)-3-(4-chloro-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-2-propenoate
CAS Registry Number 70412-71-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17ClO3
InChI InChI=1S/C13H17ClO3/c1-8-9(5-6-11(15)17-4)13(2,3)7-10(14)12(8)16/h5-6,10H,7H2,1-4H3/b6-5+
InChIKey YCTRRNAFHXGFFW-AATRIKPKSA-N
Molecular Weight 256.729 g/mol
SMILES C1(=C(C(=O)C(CC1(C)C)Cl)C)\C=C\C(=O)OC
SPLASH splash10-01qc-3910000000-b397a0ece1e3c5a07e99
Source of Spectrum H-62-574-0
Wiley ID 1259537