| SpectraBase Spectrum ID |
6MtIrBGAlf4 |
| Name |
Benzoic acid, 2-hydroxy-4-methoxy-6-(3-oxopentyl)- |
| CAS Registry Number |
35583-00-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O5 |
| InChI |
InChI=1S/C13H16O5/c1-3-9(14)5-4-8-6-10(18-2)7-11(15)12(8)13(16)17/h6-7,15H,3-5H2,1-2H3,(H,16,17) |
| InChIKey |
LLAOGUMKPKNPHB-UHFFFAOYSA-N |
| Molecular Weight |
252.266 g/mol |
| SMILES |
Oc1c(C(=O)O)c(cc(c1)OC)CCC(=O)CC |
| SPLASH |
splash10-004i-0940000000-8d0a7a6607654f5e1211 |
| Source of Spectrum |
B-39-796-17 |
| Synonyms |
2-Hydroxy-4-methoxy-6-(3-oxopentyl)benzoic acid |
| Wiley ID |
1255350 |
