| SpectraBase Spectrum ID |
2EQVM4MQXYH |
| Name |
2-Hydroxyphenylmethyl-1-cycloheptanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.130679818 u |
| Formula |
C14H18O2 |
| InChI |
InChI=1S/C14H18O2/c15-13-8-3-1-2-6-11(13)10-12-7-4-5-9-14(12)16/h4-5,7,9,11,16H,1-3,6,8,10H2 |
| InChIKey |
CKRGQKVSKFNAEA-UHFFFAOYSA-N |
| Molecular Weight |
218.296 g/mol |
| SMILES |
C(C=1C(O)=CC=CC1)C1C(=O)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945576 |
