| SpectraBase Spectrum ID |
E1bKAucktLX |
| Name |
Benzenemethanesulfonic acid, 4-(acetyloxy)-3-methoxy-.alpha.-(2-oxoethyl)-, methyl ester |
| CAS Registry Number |
65401-67-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O7S |
| InChI |
InChI=1S/C13H16O7S/c1-9(15)20-11-5-4-10(8-12(11)18-2)13(6-7-14)21(16,17)19-3/h4-5,7-8,13H,6H2,1-3H3 |
| InChIKey |
BHCBPRGVCGENOY-UHFFFAOYSA-N |
| Molecular Weight |
316.324 g/mol |
| SMILES |
C(S(=O)(=O)OC)(c1cc(OC)c(cc1)OC(=O)C)CC=O |
| SPLASH |
splash10-004i-0900000000-92687485b7da08a9e9b2 |
| Source of Spectrum |
SB-31-741-0 |
| Synonyms |
2-methoxy-4-[1-(methoxysulfonyl)-3-oxopropyl]phenyl acetate
3-(4-Acetoxy-3-methoxyphenyl)propionicaldehyde-3-sulfonic acid methyl ester |
| Wiley ID |
1316370 |
