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Metaclazepam-M 2AC

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

Metaclazepam-M 2AC
SpectraBase Compound ID Al8vfLlTIi
InChI InChI=1S/C17H13BrClNO4/c1-9(21)20-15-8-16(24-10(2)22)13(18)7-12(15)17(23)11-5-3-4-6-14(11)19/h3-8H,1-2H3,(H,20,21)
InChIKey DLRWBPTXHBIKKF-UHFFFAOYSA-N
Mol Weight 410.65 g/mol
Molecular Formula C17H13BrClNO4
Exact Mass 408.971649 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ApuyodgER3T
Name Metaclazepam-m 2ac P1473
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.971648599 u
Formula C17H13BrClNO4
InChI InChI=1S/C17H13BrClNO4/c1-9(21)20-15-8-16(24-10(2)22)13(18)7-12(15)17(23)11-5-3-4-6-14(11)19/h3-8H,1-2H3,(H,20,21)
InChIKey DLRWBPTXHBIKKF-UHFFFAOYSA-N
Molecular Weight 410.651 g/mol
SMILES C=1(C=C(NC(C)=O)C(C(=O)C=2C(=CC=CC2)Cl)=CC1Br)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968436