| SpectraBase Spectrum ID |
I10xE1vAcFu |
| Name |
Verimol-D |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.151809184 u |
| Formula |
C18H22O4 |
| InChI |
InChI=1S/C18H22O4/c1-12(19)17(13-4-8-15(21-2)9-5-13)18(20)14-6-10-16(22-3)11-7-14/h4-12,17-20H,1-3H3/t12-,17-,18?/m1/s1 |
| InChIKey |
KKTBJMXEKPXZHK-CGFOCGIYSA-N |
| SMILES |
C=1(OC)C=CC(=CC1)[C@@]([C@](O)(C)[H])(C(O)C1=CC=C(OC)C=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954102 |
