For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Chalepensin
SpectraBase Compound ID 9JIOdAwWeMJ
InChI InChI=1S/C16H14O3/c1-4-16(2,3)12-8-11-7-10-5-6-18-13(10)9-14(11)19-15(12)17/h4-9H,1H2,2-3H3
InChIKey FYCCCUNGXGKNJV-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C16H14O3
Exact Mass 254.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BfNikSmznE
Name Psoralen, 3-(.alpha.,.alpha.-dimethylallyl)-
CAS Registry Number 13164-03-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O3
InChI InChI=1S/C16H14O3/c1-4-16(2,3)12-8-11-7-10-5-6-18-13(10)9-14(11)19-15(12)17/h4-9H,1H2,2-3H3
InChIKey FYCCCUNGXGKNJV-UHFFFAOYSA-N
Molecular Weight 254.285 g/mol
SMILES C=1(C(Oc2c(C1)cc1c(occ1)c2)=O)C(C=C)(C)C
SPLASH splash10-0ug1-0490000000-3c54599b190c11413931
Source of Spectrum W5-1989-55410-10126
Synonyms 6-(1,1-Dimethylallyl)-7H-furo(3,2-g)(1)benzopyran-7-one 6-(1,1-dimethylallyl)furo[3,2-g]chromen-7-one 6-(1-1-dimethyl-2-propenyl)-7H-furo(3,2-g)(1)benzopyran-7-one 6-(2-Methylbut-3-en-2-yl)-7-furo[3,2-g][1]benzopyranone 6-(2-Methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one 7H-furo(3,2-g)(1)benzopyran-7-one, 6-(1,1-dimethyl-2-propenyl)- 7H-furo(3,2-g)(1)benzopyran-7-one, 6-(1,1-dimethylallyl)- Chalepensin Xyloltenin
Wiley ID 1258062