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

*Links on SpectraBase are not permalinks.

7-(6-Bromohexanoyl)-4-methylcoumarin ester

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

7-(6-Bromohexanoyl)-4-methylcoumarin ester
SpectraBase Compound ID H24bqfkh62z
InChI InChI=1S/C16H17BrO4/c1-11-9-16(19)21-14-10-12(6-7-13(11)14)20-15(18)5-3-2-4-8-17/h6-7,9-10H,2-5,8H2,1H3
InChIKey GOBOSYHGCIWUBV-UHFFFAOYSA-N
Mol Weight 353.21 g/mol
Molecular Formula C16H17BrO4
Exact Mass 352.031022 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 J2d4fQCPfXu
Name 7-(6-Bromohexanoyl)-4-methylcoumarin ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.031022023 u
Formula C16H17BrO4
InChI InChI=1S/C16H17BrO4/c1-11-9-16(19)21-14-10-12(6-7-13(11)14)20-15(18)5-3-2-4-8-17/h6-7,9-10H,2-5,8H2,1H3
InChIKey GOBOSYHGCIWUBV-UHFFFAOYSA-N
Molecular Weight 353.212 g/mol
SMILES C1=2OC(=O)C=C(C2C=CC(=C1)OC(=O)CCCCCBr)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933847