| SpectraBase Spectrum ID |
ZDnukhgo1s |
| Name |
(S)-Octan-2-yl 2-(phenylethynyl)benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H26O2 |
| InChI |
InChI=1S/C23H26O2/c1-3-4-5-7-12-19(2)25-23(24)22-16-11-10-15-21(22)18-17-20-13-8-6-9-14-20/h6,8-11,13-16,19H,3-5,7,12H2,1-2H3/t19-/m0/s1 |
| InChIKey |
SHPZHHWCDYPFNW-IBGZPJMESA-N |
| Molecular Weight |
334.459 g/mol |
| SMILES |
C(c1c(C#Cc2ccccc2)cccc1)(O[C@](CCCCCC)(C)[H])=O |
| SPLASH |
splash10-00e9-0095000000-15ce4ff3fc625e61216c |
| Source of Spectrum |
F-65-1780-1j |
| Wiley ID |
1681597 |
