| SpectraBase Spectrum ID |
8fn5tGx4Zu |
| Name |
2-Methyl-3-(methylsulfonyl)-threo-butanoic Acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C6H12O4S |
| InChI |
InChI=1S/C6H12O4S/c1-4(6(7)8)5(2)11(3,9)10/h4-5H,1-3H3,(H,7,8) |
| InChIKey |
XNHVFICHJQJJBO-UHFFFAOYSA-N |
| Molecular Weight |
180.218 g/mol |
| SMILES |
OC(C(C(S(=O)(=O)C)C)C)=O |
| SPLASH |
splash10-03di-0900000000-6d638b63666f8a21e8b6 |
| Source of Spectrum |
Y4-83-173-0 |
| Synonyms |
2-Methyl-3-(methylsulfonyl)-erythro-butanoic Acid
2-methyl-3-methylsulfonylbutanoic acid
2-methyl-3-methylsulfonyl-butanoic acid |
| Wiley ID |
1549939 |
