![6-(1-Hydroxy-1-methyl)ethyl-3-[4-(2-naphthalenesulfonylamino)butyl]azulene-1-carboxylic acid](/api/spectrum/1Aui3HVxpd9/structure.png?h=300&w=458 "6-(1-Hydroxy-1-methyl)ethyl-3-[4-(2-naphthalenesulfonylamino)butyl]azulene-1-carboxylic acid")
| SpectraBase Compound ID | 3iMfcOYrIPT |
|---|---|
| InChI | InChI=1S/C28H29NO5S/c1-28(2,32)22-11-14-24-21(18-26(27(30)31)25(24)15-12-22)9-5-6-16-29-35(33,34)23-13-10-19-7-3-4-8-20(19)17-23/h3-4,7-8,10-15,17-18,29,32H,5-6,9,16H2,1-2H3,(H,30,31) |
| InChIKey | OJXGVHGMNBGNCT-UHFFFAOYSA-N |
| Mol Weight | 491.6 g/mol |
| Molecular Formula | C28H29NO5S |
| Exact Mass | 491.176644 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1Aui3HVxpd9 |
|---|---|
| Name | 6-(1-Hydroxy-1-methyl)ethyl-3-[4-(2-naphthalenesulfonylamino)butyl]azulene-1-carboxylic acid |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H29NO5S |
| InChI | InChI=1S/C28H29NO5S/c1-28(2,32)22-11-14-24-21(18-26(27(30)31)25(24)15-12-22)9-5-6-16-29-35(33,34)23-13-10-19-7-3-4-8-20(19)17-23/h3-4,7-8,10-15,17-18,29,32H,5-6,9,16H2,1-2H3,(H,30,31) |
| InChIKey | OJXGVHGMNBGNCT-UHFFFAOYSA-N |
| Molecular Weight | 491.602 g/mol |
| SMILES | OC(c1ccc2c(c(C(=O)O)cc2CCCCNS(c2cc3ccccc3cc2)(=O)=O)cc1)(C)C |
| SPLASH | splash10-004i-0900000000-588762b181cd9973d70c |
| Source of Spectrum | G2-4-585-10g |
| Wiley ID | 1661514 |