| SpectraBase Spectrum ID |
GlNXDKFIj9d |
| Name |
2-Allyl-5-methylsulfonyl-benzoic acid |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.045630036 u |
| Formula |
C11H12O4S |
| InChI |
InChI=1S/C11H12O4S/c1-3-4-8-5-6-9(16(2,14)15)7-10(8)11(12)13/h3,5-7H,1,4H2,2H3,(H,12,13) |
| InChIKey |
UGQNYNIMQKBCBB-UHFFFAOYSA-N |
| Instrument Name |
Waters GCT Premier CAB163 |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1002/anie.201712520 |
| Molecular Weight |
240.273 g/mol |
| Quality |
13 |
| Reported Formula |
C11H12O4S |
| SMILES |
OC(C1=C(CC=C)C=CC(=C1)S(C)(=O)=O)=O |
| SPLASH |
splash10-0002-0900000000-6df0410c130fe642495a |
| Source of Spectrum |
ACI-57-SM11-3la (DOI: 10.1002/anie.201712520) |
| Wiley ID |
1893528 |
