| SpectraBase Spectrum ID |
3OLaSq3q0vE |
| Name |
1-[6-(tert-butoxycarbonyl)oxy-2,5,7,8-tetramethylchroman-2-yl]-1-[(cyclohexylamino)carbonyl]methyl 4-(nitrooxymethyl)benzoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H44N2O10 |
| InChI |
InChI=1S/C34H44N2O10/c1-20-21(2)28-26(22(3)27(20)43-32(39)46-33(4,5)6)17-18-34(7,45-28)29(30(37)35-25-11-9-8-10-12-25)44-31(38)24-15-13-23(14-16-24)19-42-36(40)41/h13-16,25,29H,8-12,17-19H2,1-7H3,(H,35,37) |
| InChIKey |
UJSPQABNHHXTNS-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu DI-2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cmdc.201900385 |
| Molecular Weight |
640.730 g/mol |
| Reported Formula |
C34H44N2O10 |
| 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)C1CCCCC1 |
| SPLASH |
splash10-052o-4770910000-5fa7115678ee0689cad0 |
| Sample Comments |
diastereomeric mixture (2:1) |
| Source of Spectrum |
CMC-14-1677-4c |
| Wiley ID |
1836991 |
![1-[6-(tert-butoxycarbonyl)oxy-2,5,7,8-tetramethylchroman-2-yl]-1-[(cyclohexylamino)carbonyl]methyl 4-(nitrooxymethyl)benzoate](/api/spectrum/3OLaSq3q0vE/structure.png?h=300&w=458 "1-[6-(tert-butoxycarbonyl)oxy-2,5,7,8-tetramethylchroman-2-yl]-1-[(cyclohexylamino)carbonyl]methyl 4-(nitrooxymethyl)benzoate")
