| SpectraBase Spectrum ID |
1RmLoiCUWND |
| Name |
2-(3-azidopropyl)-2-(4-(trifluoromethyl)benzyl)cyclohexane-1,3-dione |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.135111319 u |
| Formula |
C17H18F3N3O2 |
| InChI |
InChI=1S/C17H18F3N3O2/c18-17(19,20)13-7-5-12(6-8-13)11-16(9-2-10-22-23-21)14(24)3-1-4-15(16)25/h5-8H,1-4,9-11H2 |
| InChIKey |
WFVYOAZROSYWLG-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMSQP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202107909 |
| Molecular Weight |
353.345 g/mol |
| Quality |
45 |
| SMILES |
C1(C(C(CCC1)=O)(CCCN=[N+]=[N-])CC1=CC=C(C=C1)C(F)(F)F)=O |
| SPLASH |
splash10-004i-0492000000-ac4439ca3b1f3bf67d12 |
| Source of Spectrum |
ACI-60-SM35-1h (DOI: 10.1002/anie.202107909) |
| Wiley ID |
1891343 |
