| SpectraBase Spectrum ID |
JQZUWF3MR4q |
| Name |
(S)-Octan-2-yl 2-((2-methoxyphenyl)ethynyl)benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H28O3 |
| InChI |
InChI=1S/C24H28O3/c1-4-5-6-7-12-19(2)27-24(25)22-15-10-8-13-20(22)17-18-21-14-9-11-16-23(21)26-3/h8-11,13-16,19H,4-7,12H2,1-3H3/t19-/m0/s1 |
| InChIKey |
ABDAKQDFDAOEFC-IBGZPJMESA-N |
| Molecular Weight |
364.485 g/mol |
| SMILES |
C(c1c(C#Cc2c(OC)cccc2)cccc1)(O[C@](CCCCCC)(C)[H])=O |
| SPLASH |
splash10-0udi-0091000000-bccc25e38d560fc7f375 |
| Source of Spectrum |
F-65-1780-1k |
| Wiley ID |
1681596 |
