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2-Propenoic acid, 3-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, methyl ester, (E)-
SpectraBase Compound ID 3q3Zr9DEts0
InChI InChI=1S/C13H20O3/c1-9-10(5-6-12(15)16-4)13(2,3)8-7-11(9)14/h5-6,11,14H,7-8H2,1-4H3/b6-5+
InChIKey DRFPHGWOQKIZQM-AATRIKPKSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Azj4bXYokIy
Name 2-Propenoic acid, 3-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, methyl ester, (E)-
CAS Registry Number 14398-28-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9-10(5-6-12(15)16-4)13(2,3)8-7-11(9)14/h5-6,11,14H,7-8H2,1-4H3/b6-5+
InChIKey DRFPHGWOQKIZQM-AATRIKPKSA-N
Molecular Weight 224.300 g/mol
SMILES OC1CCC(C)(C)C(=C1C)\C=C\C(=O)OC
SPLASH splash10-0a4i-2900000000-7cd719864c8000cb3fbb
Source of Spectrum H-62-571-0
Synonyms Methyl (2E)-3-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-propenoate (E)-3-(3-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-2-propenoic acid methyl ester (E)-3-(3-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)acrylic acid methyl ester Methyl (E)-3-(2,6,6-trimethyl-3-oxidanyl-cyclohexen-1-yl)prop-2-enoate Methyl (E)-3-(3-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)prop-2-enoate
Wiley ID 1225227