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N-(2,3-dihydro-1,5-benzothiazepin-4-ylamino)formamide

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N-(2,3-dihydro-1,5-benzothiazepin-4-ylamino)formamide
SpectraBase Compound ID FuUp7KDOIEw
InChI InChI=1S/C10H11N3OS/c14-7-11-13-10-5-6-15-9-4-2-1-3-8(9)12-10/h1-4,7H,5-6H2,(H,11,14)(H,12,13)
InChIKey XNDGPFQLSDHXMD-UHFFFAOYSA-N
Mol Weight 221.28 g/mol
Molecular Formula C10H11N3OS
Exact Mass 221.062283 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9MDOm7W3r1s
Name N-(2,3-Dihydro-1,5-benzothiazepin-4-ylamino)formamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.062283159 u
Formula C10H11N3OS
InChI InChI=1S/C10H11N3OS/c14-7-11-13-10-5-6-15-9-4-2-1-3-8(9)12-10/h1-4,7H,5-6H2,(H,11,14)(H,12,13)
InChIKey XNDGPFQLSDHXMD-UHFFFAOYSA-N
Molecular Weight 221.278 g/mol
SMILES C1(=NC=2C(SCC1)=CC=CC2)NNC=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822253