| SpectraBase Spectrum ID |
2u3LfszjeWg |
| Name |
Musk Xylene |
| CAS Registry Number |
81-15-2 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. 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 |
| Molecular Weight |
297.267 g/mol |
| Number of Peaks |
50 |
| RI1 |
1855 |
| RI2 |
1532 |
| RI3 |
1897 |
| RI4 |
1860 |
| SMILES |
CC(C)(C)c1c(c(c(c(c1N(=O)=O)C)N(=O)=O)C)N(=O)=O |
| SPLASH |
splash10-001l-9650000000-b5a49e93501a734985a6 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro- |
| Wiley ID |
LM_FFNSC3_3156 |
