| SpectraBase Spectrum ID |
2acyVEA2aNT |
| Name |
1-(tert-butylaminocarbonyl)-1-(6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)methyl-3-[((3-phenylsulfonyl-[1,2,5]oxadiazol-4-yl-N2-oxide)oxy]benzoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H37N3O10S |
| InChI |
InChI=1S/C34H37N3O10S/c1-19-20(2)27-25(21(3)26(19)38)16-17-34(7,46-27)28(29(39)35-33(4,5)6)45-32(40)22-12-11-13-23(18-22)44-30-31(37(41)47-36-30)48(42,43)24-14-9-8-10-15-24/h8-15,18,28,38H,16-17H2,1-7H3,(H,35,39) |
| InChIKey |
YYFCGJIUCMJTJO-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu DI-2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cmdc.201900385 |
| Molecular Weight |
679.741 g/mol |
| Reported Formula |
C34H37N3O10S |
| SMILES |
N(C(C(OC(c1cccc(Oc2no[n+](c2S(c2ccccc2)(=O)=O)[O-])c1)=O)C1(CCc2c(c(c(c(c2C)O)C)C)O1)C)=O)C(C)(C)C |
| SPLASH |
splash10-00di-6901100000-cf929b5e87d46df2e02a |
| Sample Comments |
diastereomeric mixture (2:1) |
| Source of Spectrum |
CMC-14-1680-7b |
| Wiley ID |
1836999 |
![1-(tert-butylaminocarbonyl)-1-(6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)methyl-3-[((3-phenylsulfonyl-[1,2,5]oxadiazol-4-yl-N2-oxide)oxy]benzoate](/api/spectrum/2acyVEA2aNT/structure.png?h=300&w=458 "1-(tert-butylaminocarbonyl)-1-(6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)methyl-3-[((3-phenylsulfonyl-[1,2,5]oxadiazol-4-yl-N2-oxide)oxy]benzoate")
