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Hexanedioic acid, 2,5-diacetyl-3-cyano-, dimethyl ester
SpectraBase Compound ID Ixi9hQkmyZz
InChI InChI=1S/C13H17NO6/c1-7(15)10(12(17)19-3)5-9(6-14)11(8(2)16)13(18)20-4/h9-11H,5H2,1-4H3
InChIKey SSPHVTYJNLGPGD-UHFFFAOYSA-N
Mol Weight 283.28 g/mol
Molecular Formula C13H17NO6
Exact Mass 283.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bu69jiZ1f4N
Name Hexanedioic acid, 2,5-diacetyl-3-cyano-, dimethyl ester
CAS Registry Number 65602-48-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO6
InChI InChI=1S/C13H17NO6/c1-7(15)10(12(17)19-3)5-9(6-14)11(8(2)16)13(18)20-4/h9-11H,5H2,1-4H3
InChIKey SSPHVTYJNLGPGD-UHFFFAOYSA-N
Molecular Weight 283.280 g/mol
SMILES C(CC(C(C(=O)OC)C(=O)C)C#N)(C(=O)OC)C(=O)C
SPLASH splash10-0006-9400000000-b620d224721f64eb9313
Source of Spectrum I-55-4064-0
Synonyms Dimethyl 2,5-diacetyl-3-cyanohexanedioate 2,5-Diacetyl-3-cyanohexanedioic acid dimethyl ester Dimethyl 2,5-diacetyl-3-cyano-hexanedioate Dimethyl 3-cyano-2,5-diethanoyl-hexanedioate
Wiley ID 1286770