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Halazepam-m (ho-) isomer-1 hyac P1316

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Halazepam-m (ho-) isomer-1 hyac P1316
SpectraBase Compound ID 9HuVeMSwuJW
InChI InChI=1S/C17H13ClF3NO3/c1-10(23)25-13-5-2-11(3-6-13)16(24)14-8-12(18)4-7-15(14)22-9-17(19,20)21/h2-8,22H,9H2,1H3
InChIKey WAPRNPNWLRDVOG-UHFFFAOYSA-N
Mol Weight 371.74 g/mol
Molecular Formula C17H13ClF3NO3
Exact Mass 371.053605 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8JmmWivpkSP
Name Halazepam-m (ho-) isomer-1 hyac P1316
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.053605469 u
Formula C17H13ClF3NO3
InChI InChI=1S/C17H13ClF3NO3/c1-10(23)25-13-5-2-11(3-6-13)16(24)14-8-12(18)4-7-15(14)22-9-17(19,20)21/h2-8,22H,9H2,1H3
InChIKey WAPRNPNWLRDVOG-UHFFFAOYSA-N
Molecular Weight 371.743 g/mol
SMILES C=1C=C(C(C(=O)C2=CC=C(C=C2)OC(C)=O)=CC1Cl)NCC(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937514