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

*Links on SpectraBase are not permalinks.
Decursinol
SpectraBase Compound ID BeyHxHs2rMv
InChI InChI=1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3/t12-/m0/s1
InChIKey BGXFQDFSVDZUIW-LBPRGKRZSA-N
Mol Weight 246.26 g/mol
Molecular Formula C14H14O4
Exact Mass 246.089209 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID EPuGR4nSjnv
Name Decursinol
Source of Sample Cayman Chemical Company
Catalog Number 34807
Lot Number 0624136-2
Accessory DurasamplIR II
CAS Registry Number 23458-02-8
Copyright Copyright © 2019-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.089208927 u
Formula C14H14O4
InChI InChI=1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3/t12-/m0/s1
InChIKey BGXFQDFSVDZUIW-LBPRGKRZSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 246.262 g/mol
Purity ≥98%
Resolution 4
SMILES C=12C(C=CC(O2)=O)=CC2=C(OC([C@](C2)(O)[H])(C)C)C1
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms (7S)-7,8-dihydro-7-hydroxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b′]dipyran-2-one (+)-Decursinol
Technique ATR-Neat