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2-Buta-2,3-dienylmalonic acid dimethyl ester
SpectraBase Compound ID CZrP6S3FCUB
InChI InChI=1S/C9H12O4/c1-4-5-6-7(8(10)12-2)9(11)13-3/h5,7H,1,6H2,2-3H3
InChIKey IHZSJTUVMXFRPG-UHFFFAOYSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6aLIhYigvf
Name 2-buta-2,3-dienylmalonic acid dimethyl ester
CAS Registry Number 100747-44-2
Comments Less than 3 mono-isotopic peaks
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Formula C9H12O4
InChI InChI=1S/C9H12O4/c1-4-5-6-7(8(10)12-2)9(11)13-3/h5,7H,1,6H2,2-3H3
InChIKey IHZSJTUVMXFRPG-UHFFFAOYSA-N
Molecular Weight 184.191 g/mol
SMILES C(C(=O)OC)(C(=O)OC)CC=C=C
SPLASH splash10-0006-9000000000-7864e2f3b6a319966f66
Source of Spectrum J-67-2842-1
Synonyms Propanedioic acid, 2,3-butadienyl-, dimethyl ester 2-buta-2,3-dienylpropanedioic acid dimethyl ester dimethyl 2-(2,3-butadienyl)malonate dimethyl 2-buta-2,3-dienylpropanedioate
Wiley ID 1569630