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Cyprazepam artifact (deoxo-) P1049

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

Cyprazepam artifact (deoxo-) P1049
SpectraBase Compound ID 4FnpiK3WSSj
InChI InChI=1S/C19H18ClN3/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)22-12-18(23-17)21-11-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2,(H,21,23)
InChIKey VTWBVDZYTPERDH-UHFFFAOYSA-N
Mol Weight 323.83 g/mol
Molecular Formula C19H18ClN3
Exact Mass 323.118925 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IiY1NyT1pX6
Name Cyprazepam artifact (deoxo-) P1049
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.118925292 u
Formula C19H18ClN3
InChI InChI=1S/C19H18ClN3/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)22-12-18(23-17)21-11-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2,(H,21,23)
InChIKey VTWBVDZYTPERDH-UHFFFAOYSA-N
Molecular Weight 323.827 g/mol
SMILES C1=C(C=C2C(N=C(NCC3CC3)CN=C2C2=CC=CC=C2)=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.878365