| SpectraBase Spectrum ID |
I7Ky8Ss77ZQ |
| Name |
Methyl 3-(4-hydroxy-4-phenylpent-1-yn-1-yl)thiophene-2-carboxylate |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16O3S |
| InChI |
InChI=1S/C17H16O3S/c1-17(19,14-8-4-3-5-9-14)11-6-7-13-10-12-21-15(13)16(18)20-2/h3-5,8-10,12,19H,11H2,1-2H3 |
| InChIKey |
QCZRSVNIRLCWFG-UHFFFAOYSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.202200958 |
| Molecular Weight |
300.372 g/mol |
| Reported Formula |
C17H16O3S |
| SMILES |
OC(CC#Cc1ccsc1C(OC)=O)(c1ccccc1)C |
| SPLASH |
splash10-00e9-2940000000-3c0a5642233d5c8671cf |
| Source of Spectrum |
ASC-364-SM5-5-3 |
| Wiley ID |
1877466 |
