| SpectraBase Spectrum ID |
1JK5v5GJs7t |
| Name |
4-Ethyl-4-methyl-6-nitrochroman-2-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13NO4 |
| InChI |
InChI=1S/C12H13NO4/c1-3-12(2)7-11(14)17-10-5-4-8(13(15)16)6-9(10)12/h4-6H,3,7H2,1-2H3 |
| InChIKey |
HJYYHJMRTIHLFK-UHFFFAOYSA-N |
| Instrument Name |
Waters GCT Premier |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1021/acs.joc.1c01887 |
| Molecular Weight |
235.239 g/mol |
| SMILES |
C(C)C1(CC(Oc2c1cc(cc2)[N+](=O)[O-])=O)C |
| SPLASH |
splash10-0a4i-1590000000-a3bf310a69256166c752 |
| Source of Spectrum |
JOC-87-SM16-8b |
| Wiley ID |
1884178 |
