SpectraBase Spectrum ID |
5Z4lDtjcV04 |
Name |
Musk ketone |
CAS Registry Number |
81-14-1 |
Classification |
Fragrance |
Comments |
Spectrum verified by independent measurements in external laboratories |
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 |
957 |
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 |
splash10-002f-7930000000-3e60c67894004659c11f |
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_030595 |