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2-(Methoxycarbonyl)-4-methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hex-2-enoic acid
SpectraBase Compound ID HDbOQLlS8tq
InChI InChI=1S/C18H28O4/c1-12(11-14(16(19)20)17(21)22-5)8-9-15-13(2)7-6-10-18(15,3)4/h11-12H,6-10H2,1-5H3,(H,19,20)
InChIKey FLWLSXDMJQWHNW-UHFFFAOYSA-N
Mol Weight 308.42 g/mol
Molecular Formula C18H28O4
Exact Mass 308.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HG9tY3CKrRH
Name 2-(Methoxycarbonyl)-4-methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hex-2-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O4
InChI InChI=1S/C18H28O4/c1-12(11-14(16(19)20)17(21)22-5)8-9-15-13(2)7-6-10-18(15,3)4/h11-12H,6-10H2,1-5H3,(H,19,20)
InChIKey FLWLSXDMJQWHNW-UHFFFAOYSA-N
Ionization Type DIP-EI
Molecular Weight 308.418 g/mol
SMILES OC(C(C(OC)=O)=CC(CCC1=C(CCCC1(C)C)C)C)=O
SPLASH splash10-0a4l-0952000000-e5abfaf5496d6966b33d
Sample Comments E/Z = 1:1
Source of Spectrum WO2012085056A1
Wiley ID 1845450