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[3,5-Bis(methoxycarbonyl)-2-cyclohexen-1-yl]acetic acid
SpectraBase Compound ID 5L3uywX8QkL
InChI InChI=1S/C12H16O6/c1-17-11(15)8-3-7(5-10(13)14)4-9(6-8)12(16)18-2/h3,7,9H,4-6H2,1-2H3,(H,13,14)
InChIKey YGKBQYGONJSPOG-UHFFFAOYSA-N
Mol Weight 256.25 g/mol
Molecular Formula C12H16O6
Exact Mass 256.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TG8TqCa6bR
Name [3,5-Bis(methoxycarbonyl)-2-cyclohexen-1-yl]acetic acid
CAS Registry Number 115205-04-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O6
InChI InChI=1S/C12H16O6/c1-17-11(15)8-3-7(5-10(13)14)4-9(6-8)12(16)18-2/h3,7,9H,4-6H2,1-2H3,(H,13,14)
InChIKey YGKBQYGONJSPOG-UHFFFAOYSA-N
Molecular Weight 256.254 g/mol
SMILES OC(=O)CC1CC(C(OC)=O)CC(C(OC)=O)=C1
SPLASH splash10-052k-5910000000-44071970382a70b45015
Source of Spectrum J-53-3706-5
Synonyms 1-Cyclohexene-1,5-dicarboxylic acid, 3-[(hydroxycarbonyl)methyl]-,dimethyl ester 2-(3,5-dicarbomethoxycyclohex-2-en-1-yl)acetic acid 2-[3,5-bis(methoxycarbonyl)-1-cyclohex-2-enyl]acetic acid 2-[3,5-bis(methoxycarbonyl)cyclohex-2-en-1-yl]acetic acid 2-[3,5-bis(methoxycarbonyl)cyclohex-2-en-1-yl]ethanoic acid
Wiley ID 1259419