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Auraptene

View entire compound with spectra: 5 NMR, 1 FTIR, 1 Raman, and 2 MS (GC)

Auraptene
SpectraBase Compound ID GtllK3LXB58
InChI InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+
InChIKey RSDDHGSKLOSQFK-RVDMUPIBSA-N
Mol Weight 298.38 g/mol
Molecular Formula C19H22O3
Exact Mass 298.156895 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 5ChNHHYiL1b
Name Auraptene
Source of Sample Cayman Chemical Company
Catalog Number 14000
Lot Number 0457150-7
Accessory DurasamplIR II
CAS Registry Number 495-02-3
Classification coumarin derived from citrus plants that bears a geranyloxyl moiety
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O3
InChI InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+
InChIKey RSDDHGSKLOSQFK-RVDMUPIBSA-N
Instrument Name Bio-Rad FTS
Sample Description crystalline solid
Source of Spectrum Forensic Spectral Research
Synonyms 7-Geranyloxycoumarin; 7-[[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy]-2H-1-benzopyran-2-one
Technique ATR-Neat (DuraSamplIR II)