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Benzoxazol-2-one, 3-(4-bromobenzoyl)-5-chloro-

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

Benzoxazol-2-one, 3-(4-bromobenzoyl)-5-chloro-
SpectraBase Compound ID LgWZii38MMj
InChI InChI=1S/C14H7BrClNO3/c15-9-3-1-8(2-4-9)13(18)17-11-7-10(16)5-6-12(11)20-14(17)19/h1-7H
InChIKey DPDKIOIHVMZAFG-UHFFFAOYSA-N
Mol Weight 352.57 g/mol
Molecular Formula C14H7BrClNO3
Exact Mass 350.929784 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I8seg3yfKxs
Name Benzoxazol-2-one, 3-(4-bromobenzoyl)-5-chloro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.929783786 u
Formula C14H7BrClNO3
InChI InChI=1S/C14H7BrClNO3/c15-9-3-1-8(2-4-9)13(18)17-11-7-10(16)5-6-12(11)20-14(17)19/h1-7H
InChIKey DPDKIOIHVMZAFG-UHFFFAOYSA-N
Molecular Weight 352.571 g/mol
SMILES C1=C(C=CC(=C1)C(N1C(OC=2C1=CC(Cl)=CC2)=O)=O)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934135