| SpectraBase Spectrum ID |
Bp0teGuU51s |
| Name |
2-benzyl-3-(4-nitrophenyl)-3-oxopropanenitrile |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.084792251 u |
| Formula |
C16H12N2O3 |
| InChI |
InChI=1S/C16H12N2O3/c17-11-14(10-12-4-2-1-3-5-12)16(19)13-6-8-15(9-7-13)18(20)21/h1-9,14H,10H2 |
| InChIKey |
KBKUONYAWAKNOG-UHFFFAOYSA-N |
| Instrument Name |
SHIMADZU GCMS-QP2010 and JEOL JMS-DX303HF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201605445 |
| Quality |
211 |
| Reported Formula |
C16H12N2O3 |
| SMILES |
C1(=CC=CC=C1)CC(C#N)C(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| SPLASH |
splash10-0udl-9700000000-793972a50becd94f0968 |
| Source of Spectrum |
ACI-55-SM17-2i (DOI: 10.1002/anie.201605445) |
| Wiley ID |
1899110 |
