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Trioxsalen
SpectraBase Compound ID DzVh0KYrFE5
InChI InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3
InChIKey FMHHVULEAZTJMA-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C14H12O3
Exact Mass 228.078644 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID LPwVUPLnE4N
Name Trioxsalen
Source of Sample Sigma-Aldrich Company LLC
Catalog Number T6137
Lot Number 043K3512V
Accessory DurasamplIR II
Apodization Function Triangular
CAS Registry Number 3902-71-4
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O3
InChI InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3
InChIKey FMHHVULEAZTJMA-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES c12\C(=C/C(Oc1c(c1c(c2)cc(o1)C)C)=O)C
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Technique ATR-Neat