| SpectraBase Spectrum ID |
GWGzKYWLqZU |
| Name |
Musk ketone |
| CAS Registry Number |
81-14-1 |
| Classification |
Fragrance |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
294.121571683 u |
| Formula |
C14H18N2O5 |
| InChI |
InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3 |
| InChIKey |
WXCMHFPAUCOJIG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
294.307 g/mol |
| Nominal Mass |
294 u |
| Quality |
998 |
| Retention Index |
1925 |
| SMILES |
C1(=C(C(=C(C(=C1[N+](=O)[O-])C)C(=O)C)C)[N+](=O)[O-])C(C)(C)C |
| SPLASH |
splash10-004l-4950000000-fa2b857219edcb89e9e7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(1,1,-Dimethylethyl)-3,5-dimethyl-4-acetyl-2,6-dinitrobenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034581 |
