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(3RS)-METHYL-(4E)-3-HYDROXY-2-METHYL-4-HEXENOATE,ISOMER-#1
SpectraBase Compound ID ICMgdJiNLqx
InChI InChI=1S/C8H14O3/c1-4-5-7(9)6(2)8(10)11-3/h4-7,9H,1-3H3/b5-4+
InChIKey JEHGEKPSUMDBCP-SNAWJCMRSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CuyJoQE7cvC
Name 4-HEXENOIC ACID, 3-HYDROXY-2-METHYL-, METHYL ESTER, (R*,R*)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-4-5-7(9)6(2)8(10)11-3/h4-7,9H,1-3H3/b5-4+
InChIKey JEHGEKPSUMDBCP-SNAWJCMRSA-N
Molecular Weight 158.0939
SMILES OC(C(C(OC)=O)C)\C=C\C
SPLASH splash10-059i-9000000000-97ec3f15854c1c7aff41
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany