| SpectraBase Spectrum ID |
K7n8gYwhyBG |
| Name |
5-(Adamantyl-1)salicylic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.156894565 u |
| Formula |
C18H22O3 |
| InChI |
InChI=1S/C18H22O3/c1-21-17(20)15-7-14(2-3-16(15)19)18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13,19H,4-6,8-10H2,1H3/t11-,12+,13-,18- |
| InChIKey |
JFRMQGWZTDYHRK-MCXHQAMOSA-N |
| SMILES |
C1=C(C(=CC(=C1)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])C(=O)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941858 |
