| SpectraBase Spectrum ID |
4efBdeLCPEJ |
| Name |
1-[2-(Mercaptomethyl)phenyl]-3,3-dimethyl-2-butanol |
| Alternate Name(s) |
1-[2-(mercaptomethyl)phenyl]-3,3-dimethyl-butan-2-ol
3,3-dimethyl-1-[2-(sulfanylmethyl)phenyl]butan-2-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H20OS |
| InChI |
InChI=1S/C13H20OS/c1-13(2,3)12(14)8-10-6-4-5-7-11(10)9-15/h4-7,12,14-15H,8-9H2,1-3H3 |
| InChIKey |
ZQDFSOMNQJJUOE-UHFFFAOYSA-N |
| Molecular Weight |
224.362 g/mol |
| SMILES |
SCc1c(CC(C(C)(C)C)O)cccc1 |
| SPLASH |
splash10-0udi-0900000000-cb379d5512871cb6aee9 |
| Source of Spectrum |
J-61-1861-3 |
| Wiley ID |
1225200 |
![1-[2-(Mercaptomethyl)phenyl]-3,3-dimethyl-2-butanol](/api/spectrum/4efBdeLCPEJ/structure.png?h=300&w=458 "1-[2-(Mercaptomethyl)phenyl]-3,3-dimethyl-2-butanol")
