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3',4'-2H-Oxazepam, 3',4'-epoxy-3-o-ethyl-

View entire compound with spectra: 1 FTIR

3',4'-2H-Oxazepam, 3',4'-epoxy-3-o-ethyl-
SpectraBase Compound ID H4r8nJ2dF8Q
InChI InChI=1S/C17H15ClN2O3/c1-2-22-17-16(21)19-12-5-4-10(18)8-11(12)15(20-17)9-3-6-13-14(7-9)23-13/h3-8,13-14,17H,2H2,1H3,(H,19,21)
InChIKey AHEMQNKBKVDPFE-UHFFFAOYSA-N
Mol Weight 330.77 g/mol
Molecular Formula C17H15ClN2O3
Exact Mass 330.07712 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GwKcKnldZHJ
Name 3',4'-2H-Oxazepam, 3',4'-epoxy-3-o-ethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.077120048 u
Formula C17H15ClN2O3
InChI InChI=1S/C17H15ClN2O3/c1-2-22-17-16(21)19-12-5-4-10(18)8-11(12)15(20-17)9-3-6-13-14(7-9)23-13/h3-8,13-14,17H,2H2,1H3,(H,19,21)
InChIKey AHEMQNKBKVDPFE-UHFFFAOYSA-N
Molecular Weight 330.771 g/mol
SMILES C1=2NC(C(N=C(C2C=C(C=C1)Cl)C1=CC2C(C=C1)O2)OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.886152