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Esculin

View entire compound with spectra: 4 NMR, 2 FTIR, 2 Raman, and 1 MS (GC)

Esculin
SpectraBase Compound ID EKTWnIJjNr3
InChI InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1
InChIKey XHCADAYNFIFUHF-TVKJYDDYSA-N
Mol Weight 340.28 g/mol
Molecular Formula C15H16O9
Exact Mass 340.079432 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 3pRoRXbu0or
Name Esculin
Source of Sample Indofine Chemical Company, Inc.
Catalog Number 06-014
Lot Number 406211
CAS Registry Number 531-75-9
Compound Type Pure
Copyright Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O9
InChI InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1
InChIKey XHCADAYNFIFUHF-TVKJYDDYSA-N
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms 6,7-Dihydroxycoumarin-6-O-glucoside; Esculetin-6-O-glucoside
Technique ATR-Neat (DuraSamplIR II)