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Isoscopoletin
SpectraBase Compound ID 6Pek94Wm0dn
InChI InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
InChIKey SYTYLPHCLSSCOJ-UHFFFAOYSA-N
Mol Weight 192.17 g/mol
Molecular Formula C10H8O4
Exact Mass 192.042259 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID KaNtQ7b4dHf
Name Isoscopoletin
Source of Sample Cayman Chemical Company
Catalog Number 34117
Lot Number 0614729-4
Accessory DurasamplIR II
CAS Registry Number 776-86-3
Copyright Copyright © 2019-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 192.042258734 u
Formula C10H8O4
InChI InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
InChIKey SYTYLPHCLSSCOJ-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 192.170 g/mol
Purity ≥98%
Resolution 4
SMILES C1(C=CC=2C(O1)=CC(=C(C2)O)OC)=O
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms 6-hydroxy-7-methoxy-2H-1-benzopyran-2-one 7-methoxy-6-Hydroxycoumarin 7-Methoxyesculetin Esculetin 7-methyl ether
Technique ATR-Neat