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1,3-diydro-4-heptadecyl-2H-1,5-benzodiazepin-2-one

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

1,3-diydro-4-heptadecyl-2H-1,5-benzodiazepin-2-one
SpectraBase Compound ID 26BgNjX0qqV
InChI InChI=1S/C26H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-22-26(29)28-25-21-18-17-20-24(25)27-23/h17-18,20-21H,2-16,19,22H2,1H3,(H,28,29)
InChIKey QJGLKJGNFYAVHH-UHFFFAOYSA-N
Mol Weight 398.6 g/mol
Molecular Formula C26H42N2O
Exact Mass 398.329714 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 8Qj5cfW2I8q
Name 1,3-Diydro-4-heptadecyl-2H-1,5-benzodiazepin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.329713979 u
Formula C26H42N2O
InChI InChI=1S/C26H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-22-26(29)28-25-21-18-17-20-24(25)27-23/h17-18,20-21H,2-16,19,22H2,1H3,(H,28,29)
InChIKey QJGLKJGNFYAVHH-UHFFFAOYSA-N
Molecular Weight 398.635 g/mol
SMILES N1C=2C=CC=CC2N=C(CC1=O)CCCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Raman) 0.821083