| SpectraBase Spectrum ID |
4Dm69Xbqe8v |
| Name |
3-(p-Ethylphenyl)adamantanol-1 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.182715392 u |
| Formula |
C18H24O |
| InChI |
InChI=1S/C18H24O/c1-2-13-3-5-16(6-4-13)17-8-14-7-15(9-17)11-18(19,10-14)12-17/h3-6,14-15,19H,2,7-12H2,1H3/t14-,15+,17+,18- |
| InChIKey |
YXEJIRVDVAIVBW-YJEJQGFLSA-N |
| Molecular Weight |
256.389 g/mol |
| SMILES |
CCC1=CC=C(C=C1)[C@]12C[C@]3(C[C@@](C2)(C[C@](O)(C3)C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922735 |
