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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 2wiSJbVzG9v
Name (E)-3-hydroxy-2-methyl-4-hexenoic acid methyl ester
Alternate Name(s) (E)-3-hydroxy-2-methyl-hex-4-enoic acid methyl ester 4-Hexenoic acid, 3-hydroxy-2-methyl-, methyl ester, (R*,R*)- Methyl (4E)-3-hydroxy-2-methyl-4-hexenoate Methyl (E)-2-methyl-3-oxidanyl-hex-4-enoate Methyl (E)-3-hydroxy-2-methyl-hex-4-enoate
CAS Registry Number 67498-09-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 158.197 g/mol
SMILES OC(\C=C\C)C(C)C(=O)OC
SPLASH splash10-059i-9000000000-3abdb777b33b679a43dc
Wiley ID 1488368