SpectraBase Spectrum ID |
JJ2lePoBBmC |
Name |
Musk xylene |
CAS Registry Number |
81-15-2 |
Classification |
Fragrance |
Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024-2025 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 |
984 |
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 |
splash10-001i-7960000000-84ec628f47d33c19421e |
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_022578 |