| SpectraBase Spectrum ID |
7RZze8kSOny |
| Name |
1-[6-(tert-butoxycarbonyl)oxy-2,5,7,8-tetramethylchroman-2-yl]-1-[(pentylamino)carbonyl]methyl 4-(nitrooxymethyl)benzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H44N2O10 |
| InChI |
InChI=1S/C33H44N2O10/c1-9-10-11-18-34-29(36)28(43-30(37)24-14-12-23(13-15-24)19-41-35(39)40)33(8)17-16-25-22(4)26(20(2)21(3)27(25)44-33)42-31(38)45-32(5,6)7/h12-15,28H,9-11,16-19H2,1-8H3,(H,34,36) |
| InChIKey |
QQBZNMYLQLSYCW-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu DI-2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cmdc.201900385 |
| Molecular Weight |
628.719 g/mol |
| Reported Formula |
C33H44N2O10 |
| SMILES |
N(C(C(OC(c1ccc(CO[N+](=O)[O-])cc1)=O)C1(Oc2c(c(c(c(c2C)C)OC(OC(C)(C)C)=O)C)CC1)C)=O)CCCCC |
| SPLASH |
splash10-0a59-2360900000-c733fc7edc1e1a9c5eb1 |
| Sample Comments |
diastereomeric mixture (2:1) |
| Source of Spectrum |
CMC-14-1677-4d |
| Wiley ID |
1836992 |
![1-[6-(tert-butoxycarbonyl)oxy-2,5,7,8-tetramethylchroman-2-yl]-1-[(pentylamino)carbonyl]methyl 4-(nitrooxymethyl)benzoate](/api/spectrum/7RZze8kSOny/structure.png?h=300&w=458 "1-[6-(tert-butoxycarbonyl)oxy-2,5,7,8-tetramethylchroman-2-yl]-1-[(pentylamino)carbonyl]methyl 4-(nitrooxymethyl)benzoate")
