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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

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID AYjt6EBS8Eq
Name Decursinol
Source of Sample Cayman Chemical Company
Catalog Number 34807
Lot Number 0624136-2
Apodization Filter Function Happ-Genzel
CAS Registry Number 23458-02-8
Copyright Copyright © 2015-2025 John Wiley & Sons, Inc. All Rights Reserved.
Detector NICOLET 000-877502 InGaAs
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 Thermo Nicolet 960 ESP
Laser Power 1.402 W
Raman Corrections Referenced to internal white light source: 180 Degree backscatter
Raman Laser Frequency 9393.64 cm⁻¹
Raman Laser Source Nd:YAG
Raman Technique neat on post
SMILES O[C@]1(CC2=CC=3C=CC(OC3C=C2OC1(C)C)=O)[H]
Scans Performed 1024
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
Technique FT-Raman