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4-Methylcyclohex-4-ene-1,2-dicarboxylic acid 1-isopropyl ester
SpectraBase Compound ID 99i3u5YAs7r
InChI InChI=1S/C12H18O4/c1-7(2)16-12(15)9-5-4-8(3)6-10(9)11(13)14/h4,7,9-10H,5-6H2,1-3H3,(H,13,14)/t9-,10+/m1/s1
InChIKey ZNGCFZBOSRHHFJ-ZJUUUORDSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1J9rNJP0e8
Name 4-Methylcyclohex-4-ene-1,2-dicarboxylic acid 1-isopropyl ester
Alternate Name(s) (1R,2S)-4-Methyl-cyclohex-4-ene-1,2-dicarboxylic acid 1-isopropyl ester 6-(isopropoxycarbonyl)-3-methyl-3-cyclohexene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-7(2)16-12(15)9-5-4-8(3)6-10(9)11(13)14/h4,7,9-10H,5-6H2,1-3H3,(H,13,14)/t9-,10+/m1/s1
InChIKey ZNGCFZBOSRHHFJ-ZJUUUORDSA-N
Molecular Weight 226.272 g/mol
SMILES OC([C@@]1([C@](C(OC(C)C)=O)(CC=C(C1)C)[H])[H])=O
SPLASH splash10-000l-6900000000-7701afaa020f96c319b5
Source of Spectrum F-53-7551-12
Wiley ID 802356