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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

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9bFqrz8XLzL
Name Bergamottin
Source of Sample INDOFINE Chemical Company, Inc.
Catalog Number 19-335
Lot Number 0406134
CAS Registry Number 7380-40-7
Classification linear furanocoumarin
Compound Type Pure
Copyright Copyright © 2015-2024 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
Melting Point 75.0 - 80.0 °C
Molecular Weight 338.403 g/mol
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd:YAG
Source of Spectrum Forensic Spectral Research
Synonyms Bergamotine; Bergaptin
Technique FT-Raman