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(E)-6-keto-6-methoxy-5-methyl-hex-2-enoic acid
SpectraBase Compound ID CpsmnAya4Af
InChI InChI=1S/C8H12O4/c1-6(8(11)12-2)4-3-5-7(9)10/h3,5-6H,4H2,1-2H3,(H,9,10)/b5-3+
InChIKey USRKASMKMQWKKZ-HWKANZROSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0vcTlbtf1c
Name (E)-6-keto-6-methoxy-5-methyl-hex-2-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-6(8(11)12-2)4-3-5-7(9)10/h3,5-6H,4H2,1-2H3,(H,9,10)/b5-3+
InChIKey USRKASMKMQWKKZ-HWKANZROSA-N
Molecular Weight 172.180 g/mol
SMILES OC(\C=C\CC(C(=O)OC)C)=O
SPLASH splash10-006t-9400000000-fda065e580944cbb4c90
Source of Spectrum F-50-6719-3
Synonyms (E)-6-methoxy-5-methyl-6-oxidanylidene-hex-2-enoic acid (E)-6-methoxy-5-methyl-6-oxo-2-hexenoic acid (E)-6-methoxy-5-methyl-6-oxo-hex-2-enoic acid
Wiley ID 1168515