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(1-Acetyl-5-formyl-6-methylcycvlohexa-2,4-dienyl)acetic Acid Ethyl Ester
SpectraBase Compound ID I1HpuHEccuo
InChI InChI=1S/C14H18O4/c1-4-18-13(17)8-14(11(3)16)7-5-6-12(9-15)10(14)2/h5-7,9-10H,4,8H2,1-3H3/t10-,14-/m1/s1
InChIKey HURFULVLCZCZRE-QMTHXVAHSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jw8nxbgEvV1
Name (1-Acetyl-5-formyl-6-methylcycvlohexa-2,4-dienyl)acetic Acid Ethyl Ester
Alternate Name(s) ((1S,6R)-1-Acetyl-5-formyl-6-methyl-cyclohexa-2,4-dienyl)-acetic acid ethyl ester Ethyl (1-acetyl-5-formyl-6-methyl-2,4-cyclohexadien-1-yl)acetate 2-[(1S,6R)-1-acetyl-5-formyl-6-methyl-1-cyclohexa-2,4-dienyl]acetic acid ethyl ester Ethyl 2-[(1S,6R)-1-acetyl-5-formyl-6-methylcyclohexa-2,4-dien-1-yl]acetate Ethyl 2-[(1S,6R)-1-acetyl-5-formyl-6-methyl-cyclohexa-2,4-dien-1-yl]acetate Ethyl 2-[(1S,6R)-1-ethanoyl-5-methanoyl-6-methyl-cyclohexa-2,4-dien-1-yl]ethanoate
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Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-4-18-13(17)8-14(11(3)16)7-5-6-12(9-15)10(14)2/h5-7,9-10H,4,8H2,1-3H3/t10-,14-/m1/s1
InChIKey HURFULVLCZCZRE-QMTHXVAHSA-N
Molecular Weight 250.294 g/mol
SMILES [C@@]1([C@@](C(C=O)=CC=C1)(C)[H])(C(=O)C)CC(=O)OCC
SPLASH splash10-0a4i-2900000000-8ba881c13778162adcc2
Source of Spectrum J-59-4783-9
Wiley ID 1253384