| SpectraBase Spectrum ID |
4DKKcu3L0PA |
| Name |
7-Hydroxyphenprocoumon |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.104858991 u |
| Formula |
C18H16O4 |
| InChI |
InChI=1S/C18H16O4/c1-2-13(11-6-4-3-5-7-11)16-17(20)14-9-8-12(19)10-15(14)22-18(16)21/h3-10,13,19,21H,2H2,1H3 |
| InChIKey |
HWFZSPWSCXNXTO-UHFFFAOYSA-N |
| SMILES |
C1(=C(OC2=C(C1=O)C=CC(O)=C2)O)C(C=1C=CC=CC1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806461 |
