| SpectraBase Spectrum ID |
HLvE27RocM |
| Name |
3-(2-phenyl-1,3-dithian-2-yl)butanoic acid |
| CAS Registry Number |
111539-82-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18O2S2 |
| InChI |
InChI=1S/C14H18O2S2/c1-11(10-13(15)16)14(17-8-5-9-18-14)12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,15,16) |
| InChIKey |
XEEVPTODVYDCQT-UHFFFAOYSA-N |
| Molecular Weight |
282.416 g/mol |
| SMILES |
OC(CC(C1(SCCCS1)c1ccccc1)C)=O |
| SPLASH |
splash10-0002-0910000000-478f6b879a0cfb37ace1 |
| Source of Spectrum |
I-65-127-0 |
| Wiley ID |
1285587 |
