| SpectraBase Spectrum ID |
FRyeiAsvOuG |
| Name |
1-(tert-butylaminocarbonyl)-1-(6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)methyl-4-(nitrooxymethyl)benzoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H34N2O8 |
| InChI |
InChI=1S/C27H34N2O8/c1-15-16(2)22-20(17(3)21(15)30)12-13-27(7,37-22)23(24(31)28-26(4,5)6)36-25(32)19-10-8-18(9-11-19)14-35-29(33)34/h8-11,23,30H,12-14H2,1-7H3,(H,28,31) |
| InChIKey |
QYABOEPPUADQBH-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu DI-2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cmdc.201900385 |
| Molecular Weight |
514.575 g/mol |
| Reported Formula |
C27H34N2O8 |
| SMILES |
N(C(C(OC(c1ccc(CO[N+](=O)[O-])cc1)=O)C1(CCc2c(c(c(c(c2C)O)C)C)O1)C)=O)C(C)(C)C |
| SPLASH |
splash10-0api-3871900000-3bbc2cfc167e39b19226 |
| Sample Comments |
diastereomeric mixture (2:1) |
| Source of Spectrum |
CMC-14-1680-7a |
| Wiley ID |
1836998 |
