| SpectraBase Spectrum ID |
KVtg4NwRRYZ |
| Name |
4'-(chloromethyl)trioxsalen |
| Alternate Name(s) |
3-(chloromethyl)-2,5,9-trimethyl-7-furo[3,2-g][1]benzopyranone
3-(chloromethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H13ClO3 |
| InChI |
InChI=1S/C15H13ClO3/c1-7-4-13(17)19-14-8(2)15-11(5-10(7)14)12(6-16)9(3)18-15/h4-5H,6H2,1-3H3 |
| InChIKey |
DKFOVSBANNNBPG-UHFFFAOYSA-N |
| Molecular Weight |
276.719 g/mol |
| SMILES |
c12c(c(CCl)c(o2)C)cc2C(=CC(Oc2c1C)=O)C |
| SPLASH |
splash10-002f-0090000000-cb7c714673e13492d893 |
| Source of Spectrum |
F4-40-3437-14 |
| Wiley ID |
1671184 |
