For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Tert-butyl 7-bromo-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate

View entire compound with spectra: 1 FTIR

Tert-butyl 7-bromo-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
SpectraBase Compound ID 1naXuAsFKO4
InChI InChI=1S/C14H18BrNO3/c1-14(2,3)19-13(17)16-6-7-18-12-5-4-11(15)8-10(12)9-16/h4-5,8H,6-7,9H2,1-3H3
InChIKey GOTCHZNAPXYRGA-UHFFFAOYSA-N
Mol Weight 328.21 g/mol
Molecular Formula C14H18BrNO3
Exact Mass 327.047006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7QA5caq9ec9
Name Tert-butyl 7-bromo-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.047006441 u
Formula C14H18BrNO3
InChI InChI=1S/C14H18BrNO3/c1-14(2,3)19-13(17)16-6-7-18-12-5-4-11(15)8-10(12)9-16/h4-5,8H,6-7,9H2,1-3H3
InChIKey GOTCHZNAPXYRGA-UHFFFAOYSA-N
Molecular Weight 328.206 g/mol
SMILES C12=C(C=C(C=C2)Br)CN(C(=O)OC(C)(C)C)CCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910048