| SpectraBase Spectrum ID |
LVOc3yIoJq9 |
| Name |
4,4-Diethyl-6-nitrochroman-2-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15NO4 |
| InChI |
InChI=1S/C13H15NO4/c1-3-13(4-2)8-12(15)18-11-6-5-9(14(16)17)7-10(11)13/h5-7H,3-4,8H2,1-2H3 |
| InChIKey |
ACUCHFPMWCKXOA-UHFFFAOYSA-N |
| Instrument Name |
Waters GCT Premier |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1021/acs.joc.1c01887 |
| Molecular Weight |
249.266 g/mol |
| SMILES |
C(C)C1(CC(Oc2c1cc(cc2)[N+](=O)[O-])=O)CC |
| SPLASH |
splash10-00di-1890000000-b22d930c5c45b58ecbb2 |
| Source of Spectrum |
JOC-87-SM30-8c |
| Wiley ID |
1884179 |
