SpectraBase Compound ID | 2iNBfD5AAHX |
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InChI | InChI=1S/C22H32N2O3S/c1-6-7-8-9-12-18-16-28-20(24-18)22(3,4)19(25)13-10-11-17(2)14-15-23-21(26)27-5/h6,8-11,16,19,25H,1-2,7,12-15H2,3-5H3,(H,23,26)/b9-8+,11-10- |
InChIKey | WOVFSYAJXQSJES-OCBXPSTGSA-N |
Mol Weight | 404.6 g/mol |
Molecular Formula | C22H32N2O3S |
Exact Mass | 404.213364 g/mol |
SpectraBase Spectrum ID | DXEdxg3AuWG |
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Name | Mycothiazole |
CAS Registry Number | 114582-75-1 |
Comments | APT, DEPT, INE |
Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C22H32N2O3S |
InChI | InChI=1S/C22H32N2O3S/c1-6-7-8-9-12-18-16-28-20(24-18)22(3,4)19(25)13-10-11-17(2)14-15-23-21(26)27-5/h6,8-11,16,19,25H,1-2,7,12-15H2,3-5H3,(H,23,26)/b9-8+,11-10- |
InChIKey | WOVFSYAJXQSJES-OCBXPSTGSA-N |
Instrument Name | SF = 300 MHz |
Literature Reference | J. Am. Chem. Soc. 110, 4365 (1988). |
NMR Standard | not reported |
Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
Solvent | DMSO-D6 |