| SpectraBase Spectrum ID |
2pQM8h8r5tp |
| Name |
(S)-1-Phenylethyl 2-(phenylethynyl)benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.130679818 u |
| Formula |
C23H18O2 |
| InChI |
InChI=1S/C23H18O2/c1-18(20-12-6-3-7-13-20)25-23(24)22-15-9-8-14-21(22)17-16-19-10-4-2-5-11-19/h2-15,18H,1H3/t18-/m0/s1 |
| InChIKey |
NIFDNZYEFOMPBV-SFHVURJKSA-N |
| Molecular Weight |
326.395 g/mol |
| SMILES |
C(O[C@](C=1C=CC=CC1)(C)[H])(C=1C(C#CC2=CC=CC=C2)=CC=CC1)=O |
