| SpectraBase Spectrum ID |
99G7YvfB1Dx |
| Name |
tert-Butyl 4-cyclohexyl-3-(pyrimidin-2-ylamino)benzoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.210327119 u |
| Formula |
C21H27N3O2 |
| InChI |
InChI=1S/C21H27N3O2/c1-21(2,3)26-19(25)16-10-11-17(15-8-5-4-6-9-15)18(14-16)24-20-22-12-7-13-23-20/h7,10-15H,4-6,8-9H2,1-3H3,(H,22,23,24) |
| InChIKey |
NHJKUGDBHDWSQM-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201510743 |
| Quality |
4 |
| Reported Formula |
C21H27N3O2 |
| SMILES |
N(C=1N=CC=CN1)C=1C(=CC=C(C1)C(OC(C)(C)C)=O)C1CCCCC1 |
| SPLASH |
splash10-0ufr-0090000000-bc80fa19dd66e25c7142 |
| Source of Spectrum |
ACI-55-SM30-5ja (DOI: 10.1002/anie.201510743) |
| Wiley ID |
1895379 |
