| SpectraBase Spectrum ID |
87iGXp2jA2W |
| Name |
1-(4-(2-Nitroethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-ethanone |
| Appearance |
Amber liquid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.116092380 u |
| Formula |
C13H16N2O3 |
| GC Column |
DB-5 (30 m x 0.25 mm) |
| InChI |
InChI=1S/C13H16N2O3/c1-10(16)14-8-11-4-2-3-5-13(11)12(9-14)6-7-15(17)18/h2-5,12H,6-9H2,1H3 |
| InChIKey |
ZJXDYGZFIBQAKK-UHFFFAOYSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo4001788 |
| Molecular Weight |
248.282 g/mol |
| Quality |
342 |
| Reported Formula |
C13H16N2O3 |
| SMILES |
C1=CC=CC2=C1C(CN(C2)C(=O)C)CC[N+]([O-])=O |
| SPLASH |
splash10-001i-0900000000-30d2ec036811cd0778ac |
| Source of Spectrum |
JOC-78-4726-14c-exo (DOI: 10.1021/jo4001788) |
| Wiley ID |
1912106 |
