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5-(Ethoxycarbonyl)-7-hexyl-2,4-diphenyl-6H-[1,3]-diazepine
SpectraBase Compound ID Kmog87zyIWy
InChI InChI=1S/C26H30N2O2/c1-3-5-6-13-18-22-19-23(26(29)30-4-2)24(20-14-9-7-10-15-20)28-25(27-22)21-16-11-8-12-17-21/h7-12,14-17H,3-6,13,18-19H2,1-2H3
InChIKey LOOUWTJOLWVCGB-UHFFFAOYSA-N
Mol Weight 402.54 g/mol
Molecular Formula C26H30N2O2
Exact Mass 402.230728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6X3GVbPbAQU
Name 5-(Ethoxycarbonyl)-7-hexyl-2,4-diphenyl-6H-[1,3]-diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N2O2
InChI InChI=1S/C26H30N2O2/c1-3-5-6-13-18-22-19-23(26(29)30-4-2)24(20-14-9-7-10-15-20)28-25(27-22)21-16-11-8-12-17-21/h7-12,14-17H,3-6,13,18-19H2,1-2H3
InChIKey LOOUWTJOLWVCGB-UHFFFAOYSA-N
Molecular Weight 402.538 g/mol
SMILES C1(=C(N=C(c2ccccc2)N=C(C1)CCCCCC)c1ccccc1)C(=O)OCC
SPLASH splash10-001i-0029100000-5f37c6c7d76bbd88f48c
Source of Spectrum F5-1-4028-7
Synonyms Ethyl 4-hexyl-2,7-diphenyl-5H-1,3-diazepine-6-carboxylate
Wiley ID 1731577