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Heptanedioic acid, 4-[1-(cyclohexylimino)ethyl]-, dimethyl ester
SpectraBase Compound ID y6X2vowYwQ
InChI InChI=1S/C17H29NO4/c1-13(18-15-7-5-4-6-8-15)14(9-11-16(19)21-2)10-12-17(20)22-3/h14-15H,4-12H2,1-3H3/b18-13+
InChIKey DJRLKRFVBGTNND-QGOAFFKASA-N
Mol Weight 311.42 g/mol
Molecular Formula C17H29NO4
Exact Mass 311.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9awebJtqW5I
Name Heptanedioic acid, 4-[1-(cyclohexylimino)ethyl]-, dimethyl ester
Alternate Name(s) Dimethyl 4-(1-cyclohexyliminoethyl)adipate Dimethyl 4-[(1E)-N-cyclohexylethanimidoyl]heptanedioate
CAS Registry Number 73812-89-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H29NO4
InChI InChI=1S/C17H29NO4/c1-13(18-15-7-5-4-6-8-15)14(9-11-16(19)21-2)10-12-17(20)22-3/h14-15H,4-12H2,1-3H3/b18-13+
InChIKey DJRLKRFVBGTNND-QGOAFFKASA-N
Molecular Weight 311.422 g/mol
SMILES C(\C(=N\C1CCCCC1)C)(CCC(=O)OC)CCC(=O)OC
SPLASH splash10-053r-9220000000-70d46bad65076c1e97a5
Source of Spectrum F-35-1903-0
Wiley ID 1312436