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

*Links on SpectraBase are not permalinks.

3-Butyl-7-hydroxy-4-methyl-8-(piperidinomethyl)coumarin

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

3-Butyl-7-hydroxy-4-methyl-8-(piperidinomethyl)coumarin
SpectraBase Compound ID FzCGMoZcmpi
InChI InChI=1S/C20H27NO3/c1-3-4-8-16-14(2)15-9-10-18(22)17(19(15)24-20(16)23)13-21-11-6-5-7-12-21/h9-10,22H,3-8,11-13H2,1-2H3
InChIKey JZJIBRSYDOKYCY-UHFFFAOYSA-N
Mol Weight 329.44 g/mol
Molecular Formula C20H27NO3
Exact Mass 329.199094 g/mol

Raman Spectrum

Raman Spectrum

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID Anb8yetX6ct
Name 3-Butyl-7-hydroxy-4-methyl-8-(piperidinomethyl)coumarin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.199093730 u
Formula C20H27NO3
InChI InChI=1S/C20H27NO3/c1-3-4-8-16-14(2)15-9-10-18(22)17(19(15)24-20(16)23)13-21-11-6-5-7-12-21/h9-10,22H,3-8,11-13H2,1-2H3
InChIKey JZJIBRSYDOKYCY-UHFFFAOYSA-N
Molecular Weight 329.440 g/mol
SMILES OC=1C=CC=2C(=C(C(OC2C1CN1CCCCC1)=O)CCCC)C
Spectrum/Structure Validation Score (Raman) 0.783641