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4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)-
SpectraBase Compound ID 9LD8uaiH7Mh
InChI InChI=1S/C8H14O3/c1-7(5-6-9)3-4-8(10)11-2/h5,9H,3-4,6H2,1-2H3/b7-5+
InChIKey PQOBTUTWNHKPOV-FNORWQNLSA-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 6PGhQKaotBC
Name 4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)-
CAS Registry Number 53585-95-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-7(5-6-9)3-4-8(10)11-2/h5,9H,3-4,6H2,1-2H3/b7-5+
InChIKey PQOBTUTWNHKPOV-FNORWQNLSA-N
Molecular Weight 158.197 g/mol
SMILES OC\C=C\(CCC(OC)=O)C
SPLASH splash10-0006-9000000000-de53df8f75361af0a648
Source of Spectrum C-100-5522-0
Synonyms Methyl (4E)-6-hydroxy-4-methyl-4-hexenoate (E)-6-hydroxy-4-methyl-4-hexenoic acid methyl ester (E)-6-hydroxy-4-methyl-hex-4-enoic acid methyl ester Methyl (E)-4-methyl-6-oxidanyl-hex-4-enoate Methyl (E)-6-hydroxy-4-methyl-hex-4-enoate
Wiley ID 1155147