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Bergamottin

View entire compound with spectra: 3 NMR, 1 FTIR, 1 Raman, 1 UV-Vis, and 1 MS (GC)

Bergamottin
SpectraBase Compound ID FOnv0gYbJSY
InChI InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
InChIKey DBMJZOMNXBSRED-OQLLNIDSSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID KTQ3z3AuB70
Name Bergamottin
Source of Sample Indofine Chemical Company, Inc.
Catalog Number 19-335
Lot Number 406134
CAS Registry Number 7380-40-7
Compound Type Pure
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
InChIKey DBMJZOMNXBSRED-OQLLNIDSSA-N
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Technique ATR-Neat (DuraSamplIR II)