| SpectraBase Spectrum ID |
C50WLMgX2Va |
| Name |
trans-1-(phenylthio)-6-oxo-4-oxahept-1-ene |
| CAS Registry Number |
108270-23-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14O2S |
| InChI |
InChI=1S/C12H14O2S/c1-11(13)10-14-8-5-9-15-12-6-3-2-4-7-12/h2-7,9H,8,10H2,1H3/b9-5+ |
| InChIKey |
AJNGNXAFRPWBLZ-WEVVVXLNSA-N |
| Molecular Weight |
222.302 g/mol |
| SMILES |
c1(S\C=C\COCC(=O)C)ccccc1 |
| SPLASH |
splash10-0005-7900000000-0dd20dd2149ca1cbb081 |
| Source of Spectrum |
J-52-3195-17 |
| Synonyms |
1-{[(2E)-3-(phenylsulfanyl)-2-propenyl]oxy}acetone |
| Wiley ID |
1222127 |
