| SpectraBase Spectrum ID |
D2vO5GusmvQ |
| Name |
(S)-(1-(3-Methoxyphenyl)ethyl)cycloheptane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.182715392 u |
| Formula |
C16H24O |
| InChI |
InChI=1S/C16H24O/c1-13(14-8-5-3-4-6-9-14)15-10-7-11-16(12-15)17-2/h7,10-14H,3-6,8-9H2,1-2H3/t13-/m0/s1 |
| InChIKey |
RQGUBMPDOAAEFQ-ZDUSSCGKSA-N |
| Molecular Weight |
232.367 g/mol |
| SMILES |
C1(CCCCCC1)[C@@](C1=CC(=CC=C1)OC)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832054 |
