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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wm91mmzwvU
Name 2H-1-Benzopyran-2-one, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)-
Alternate Name(s) 7-([(2E)-3,7-Dimethyl-2,6-octadienyl]oxy)-2H-chromen-2-one 7-Geranyloxycoumarin 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-benzopyran-2-one 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]coumarin Aurapten Auraptene Coumarin, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)-
CAS Registry Number 495-02-3
Copyright Copyright © 2020-2024 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
Molecular Weight 298.382 g/mol
SMILES CC(C)=CCC\C(C)=C\COc1ccc2C=CC(=O)Oc2c1
SPLASH splash10-014l-9200000000-beca1994a2b1c22e9a6a
Source of Spectrum TA-0-1094-3
Wiley ID 44173