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 |