| SpectraBase Spectrum ID |
CjXRZTnp90R |
| Name |
N-[1-(tert-butylaminocarbonyl)-1-(6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)methyl]-N-(4-methylphenyl)-4-[(nitrooxy)methyl]-phenylcarboxamide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H41N3O7 |
| InChI |
InChI=1S/C34H41N3O7/c1-20-9-15-26(16-10-20)36(32(40)25-13-11-24(12-14-25)19-43-37(41)42)30(31(39)35-33(5,6)7)34(8)18-17-27-23(4)28(38)21(2)22(3)29(27)44-34/h9-16,30,38H,17-19H2,1-8H3,(H,35,39) |
| InChIKey |
ZSILQYSUPPMILA-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu DI-2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cmdc.201900385 |
| Molecular Weight |
603.716 g/mol |
| Reported Formula |
C34H41N3O7 |
| SMILES |
N(C(C(N(C(c1ccc(CO[N+](=O)[O-])cc1)=O)c1ccc(cc1)C)C1(CCc2c(c(c(c(c2C)O)C)C)O1)C)=O)C(C)(C)C |
| SPLASH |
splash10-0a4i-4790060000-9e57b871cb4957898efe |
| Sample Comments |
diastereomeric mixture (2:1) |
| Source of Spectrum |
CMC-14-1681-8a |
| Wiley ID |
1837000 |
![N-[1-(tert-butylaminocarbonyl)-1-(6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)methyl]-N-(4-methylphenyl)-4-[(nitrooxy)methyl]-phenylcarboxamide](/api/spectrum/CjXRZTnp90R/structure.png?h=300&w=458 "N-[1-(tert-butylaminocarbonyl)-1-(6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)methyl]-N-(4-methylphenyl)-4-[(nitrooxy)methyl]-phenylcarboxamide")
