| SpectraBase Spectrum ID |
2zYRoX6FEeL |
| Name |
1-(4-(Nitromethyl)-4,5-dihydro-1H-benzo[c]azepin-2(3H)-yl)-ethanone |
| Appearance |
Amber liquid |
| Copyright |
Copyright © 2020-2024 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)14-7-11(8-15(17)18)6-12-4-2-3-5-13(12)9-14/h2-5,11H,6-9H2,1H3 |
| InChIKey |
KLFJOPLIJYPSLT-UHFFFAOYSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo4001788 |
| Molecular Weight |
248.282 g/mol |
| Quality |
575 |
| Reported Formula |
C13H16N2O3 |
| SMILES |
C1=CC=CC2=C1CC(CN(C2)C(C)=O)C[N+]([O-])=O |
| SPLASH |
splash10-00l6-2900000000-cc234c906f376188133c |
| Source of Spectrum |
JOC-78-4727-15c-endo (DOI: 10.1021/jo4001788) |
| Wiley ID |
1912108 |
![1-(4-(Nitromethyl)-4,5-dihydro-1H-benzo[c]azepin-2(3H)-yl)-ethanone](/api/spectrum/2zYRoX6FEeL/structure.png?h=300&w=458 "1-(4-(Nitromethyl)-4,5-dihydro-1H-benzo[c]azepin-2(3H)-yl)-ethanone")
