| SpectraBase Spectrum ID |
25dSWHUQWCM |
| Name |
3-Benzylisocoumarin |
| Alternate Name(s) |
3-Benzylisochromen-1-one
3-(phenylmethyl)-2-benzopyran-1-one
3-(phenylmethyl)isochromen-1-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H12O2 |
| InChI |
InChI=1S/C16H12O2/c17-16-15-9-5-4-8-13(15)11-14(18-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2 |
| InChIKey |
ZNYDNBPXQLEEFV-UHFFFAOYSA-N |
| Molecular Weight |
236.270 g/mol |
| SMILES |
C=1(OC(c2ccccc2C1)=O)Cc1ccccc1 |
| SPLASH |
splash10-000i-1090000000-7a3936001510f15706be |
| Source of Spectrum |
KC-61-489-13 |
| Wiley ID |
1627116 |
