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Dibutyl mesaconate
SpectraBase Compound ID sGhVShXO45
InChI InChI=1S/C13H22O4/c1-4-6-8-16-12(14)10-11(3)13(15)17-9-7-5-2/h10H,4-9H2,1-3H3/b11-10+
InChIKey CBTPGSGIWLRAKH-ZHACJKMWSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J43P8MMGUOp
Name Dibutyl mesaconate
Alternate Name(s) Dibutyl 2-methylfumarate (E)-2-methyl-2-butenedioic acid dibutyl ester Dibutyl (E)-2-methylbut-2-enedioate
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Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-4-6-8-16-12(14)10-11(3)13(15)17-9-7-5-2/h10H,4-9H2,1-3H3/b11-10+
InChIKey CBTPGSGIWLRAKH-ZHACJKMWSA-N
Molecular Weight 242.315 g/mol
SMILES C(\C=C/(C)C(OCCCC)=O)(OCCCC)=O
SPLASH splash10-03di-0900000000-16be615680934ea03b1c
Source of Spectrum ASC-354-2859/SM4-(E)_3c
Wiley ID 1762737