| SpectraBase Spectrum ID |
B3wSauWwa5A |
| Name |
3-(1'-Hydroxypropyl)phthalide |
| Comments |
Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C11H12O3 - which differs from the formula reported for the mass spectrum (C12H14O3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14O3 |
| InChI |
InChI=1S/C11H12O3/c1-2-9(12)10-7-5-3-4-6-8(7)11(13)14-10/h3-6,9-10,12H,2H2,1H3 |
| InChIKey |
ZLKFLIQLUYYCND-UHFFFAOYSA-N |
| Molecular Weight |
192.214 g/mol |
| SMILES |
OC(CC)C1OC(=O)c2ccccc12 |
| SPLASH |
splash10-052r-0950000000-2bca8c69f39e2ce69b04 |
| Source of Spectrum |
AN-105-788-2 |
| Wiley ID |
747504 |
