| SpectraBase Spectrum ID |
DlfsoQNqJdo |
| Name |
Musk xylene |
| CAS Registry Number |
81-15-2 |
| 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 |
297.096085209 u |
| Formula |
C12H15N3O6 |
| InChI |
InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3 |
| InChIKey |
XMWRWTSZNLOZFN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
297.267 g/mol |
| Nominal Mass |
297 u |
| Quality |
934 |
| Retention Index |
1841 |
| SMILES |
C=1(C(=C(C(=C(C1[N+](=O)[O-])C)[N+](=O)[O-])C)[N+](=O)[O-])C(C)(C)C |
| SPLASH |
splash10-001l-6940000000-dcd97d6e4ae54b98e097 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2,4,6-Trinitro-3,5-dimethyl-1-tert-butylbenzene
1-(1,1,-Dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_021925 |
