| SpectraBase Spectrum ID |
7G58kZKL0YU |
| Name |
4-(1,3-benzodioxol-5-yl)-2-methyl-2-(phenylthio)butanal |
| Alternate Name(s) |
4-(1,3-benzodioxol-5-yl)-2-methyl-2-(phenylthio)butyraldehyde
4-(1,3-benzodioxol-5-yl)-2-methyl-2-phenylsulfanylbutanal |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H18O3S |
| InChI |
InChI=1S/C18H18O3S/c1-18(12-19,22-15-5-3-2-4-6-15)10-9-14-7-8-16-17(11-14)21-13-20-16/h2-8,11-12H,9-10,13H2,1H3 |
| InChIKey |
NUUOYUGKHNIVMF-UHFFFAOYSA-N |
| Molecular Weight |
314.399 g/mol |
| SMILES |
c12c(OCO2)ccc(c1)CCC(Sc1ccccc1)(C=O)C |
| SPLASH |
splash10-000i-0900000000-8ac4fa685ab705d260c0 |
| Source of Spectrum |
KC-0-539-17 |
| Wiley ID |
830035 |
