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N'-(2,3-dihydro-1,5-benzothiazepin-4-yl)benzohydrazide

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N'-(2,3-dihydro-1,5-benzothiazepin-4-yl)benzohydrazide
SpectraBase Compound ID HRFtaKX7MrP
InChI InChI=1S/C16H15N3OS/c20-16(12-6-2-1-3-7-12)19-18-15-10-11-21-14-9-5-4-8-13(14)17-15/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChIKey MKHCPPRELITNAS-UHFFFAOYSA-N
Mol Weight 297.38 g/mol
Molecular Formula C16H15N3OS
Exact Mass 297.093583 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5zypLtc5uqJ
Name N'-(2,3-Dihydro-1,5-benzothiazepin-4-yl)benzohydrazide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.093583288 u
Formula C16H15N3OS
InChI InChI=1S/C16H15N3OS/c20-16(12-6-2-1-3-7-12)19-18-15-10-11-21-14-9-5-4-8-13(14)17-15/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChIKey MKHCPPRELITNAS-UHFFFAOYSA-N
Molecular Weight 297.376 g/mol
SMILES C1(=NC=2C(SCC1)=CC=CC2)NNC(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912885