| SpectraBase Spectrum ID |
5QZbSQB0ztD |
| Name |
Benzenemethanol, .alpha.-(3-methoxy-3-phenyl-1-propynyl)-, (R*,S*)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.115029753 u |
| Formula |
C17H16O2 |
| InChI |
InChI=1S/C17H16O2/c1-19-17(15-10-6-3-7-11-15)13-12-16(18)14-8-4-2-5-9-14/h2-11,16-18H,1H3/t16-,17+/m1/s1 |
| InChIKey |
KPHCOKUPRSIVAB-SJORKVTESA-N |
| Molecular Weight |
252.313 g/mol |
| SMILES |
C(#C[C@@](C=1C=CC=CC1)(OC)[H])[C@](C1=CC=CC=C1)(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912461 |
