| SpectraBase Spectrum ID |
eA5oYrEYK |
| Name |
1-[6-(tert-butoxycarbonyl)oxy-2,5,7,8-tetramethylchroman-2-yl]-1-[(tert-butylamino)carbonyl]methyl 4-(nitrooxymethyl)benzoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H42N2O10 |
| InChI |
InChI=1S/C32H42N2O10/c1-18-19(2)25-23(20(3)24(18)41-29(37)44-31(7,8)9)15-16-32(10,43-25)26(27(35)33-30(4,5)6)42-28(36)22-13-11-21(12-14-22)17-40-34(38)39/h11-14,26H,15-17H2,1-10H3,(H,33,35) |
| InChIKey |
DPWDMFZVQGQGIU-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu DI-2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cmdc.201900385 |
| Molecular Weight |
614.692 g/mol |
| Reported Formula |
C32H42N2O10 |
| SMILES |
N(C(C(OC(c1ccc(CO[N+](=O)[O-])cc1)=O)C1(CCc2c(c(c(c(c2O1)C)C)OC(OC(C)(C)C)=O)C)C)=O)C(C)(C)C |
| SPLASH |
splash10-0a4r-9831040000-ab41d92bfda1ced4d840 |
| Sample Comments |
diastereomeric mixture (2:1) |
| Source of Spectrum |
CMC-14-1677-4a |
| Wiley ID |
1836990 |
![1-[6-(tert-butoxycarbonyl)oxy-2,5,7,8-tetramethylchroman-2-yl]-1-[(tert-butylamino)carbonyl]methyl 4-(nitrooxymethyl)benzoate](/api/spectrum/eA5oYrEYK/structure.png?h=300&w=458 "1-[6-(tert-butoxycarbonyl)oxy-2,5,7,8-tetramethylchroman-2-yl]-1-[(tert-butylamino)carbonyl]methyl 4-(nitrooxymethyl)benzoate")
