| SpectraBase Spectrum ID |
KDjhBzTnR9p |
| Name |
(Z)-tert-Butyl(3-isopropyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)carbamate |
| Appearance |
Red solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.158291545 u |
| Formula |
C17H21N3O3 |
| InChI |
InChI=1S/C17H21N3O3/c1-11(2)13-14(18-16(22)23-17(3,4)5)15(21)20(19-13)12-9-7-6-8-10-12/h6-11H,1-5H3/b18-14- |
| InChIKey |
RENVRPVHFCIKED-JXAWBTAJSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/anie.201709224 |
| Molecular Weight |
315.373 g/mol |
| Quality |
88 |
| SMILES |
C=1(N2N=C(\C(=N\C(=O)OC(C)(C)C)C2=O)C(C)C)C=CC=CC1 |
| SPLASH |
splash10-0a4i-9011000000-3752130127b674ac33ba |
| Source of Spectrum |
ACI-56-SM13-2d (DOI: 10.1002/anie.201709224) |
| Thin-Layer Chromatography |
0.48 (n-pentane/EtOAc, 20:1) |
| Wiley ID |
1896593 |
