| SpectraBase Spectrum ID |
J2W0EmZ069g |
| Name |
trans-(+-)-2-(3,4-Epoxy-2-oxo-4-phenylbutylidene)-1,3-dithietane |
| Comments |
Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C12H10O2S2 - which differs from the formula reported for the mass spectrum (C13H12O2S2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12O2S2 |
| InChI |
InChI=1S/C12H10O2S2/c13-9(6-10-15-7-16-10)12-11(14-12)8-4-2-1-3-5-8/h1-6,11-12H,7H2/t11-,12-/m0/s1 |
| InChIKey |
ZSGRRJGRARSHCJ-RYUDHWBXSA-N |
| Molecular Weight |
250.330 g/mol |
| SMILES |
C1(SCS1)=CC([C@]1([C@](c2ccccc2)(O1)[H])[H])=O |
| SPLASH |
splash10-0002-0920000000-9dc04635f10f94515a94 |
| Source of Spectrum |
PS-0-2840-26 |
| Wiley ID |
786766 |
