| SpectraBase Spectrum ID |
BkE5qf20gmr |
| Name |
Ethyl 4-(6-hydroxy-6-phenylhex-1-yn-1-yl)benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.156894565 u |
| Formula |
C21H22O3 |
| InChI |
InChI=1S/C21H22O3/c1-2-24-21(23)19-15-13-17(14-16-19)9-5-3-8-12-20(22)18-10-6-4-7-11-18/h4,6-7,10-11,13-16,20,22H,2-3,8,12H2,1H3 |
| InChIKey |
YJHIPJYAOXAIAE-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ or 7000 Thermo Deca XP |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201705964 |
| Molecular Weight |
322.404 g/mol |
| Quality |
275 |
| Reported Formula |
C21H22O3 |
| SMILES |
OC(CCCC#CC1=CC=C(C(OCC)=O)C=C1)C1=CC=CC=C1 |
| SPLASH |
splash10-0fb9-1930000000-9e24c55a07e372cf3705 |
| Source of Spectrum |
ACI-56-SM8-1d (DOI: 10.1002/anie.201705964) |
| Wiley ID |
1896416 |
