| SpectraBase Spectrum ID |
DlyGdwBaDYz |
| Name |
Musk ketone |
| Source of Sample |
SAFC Cat.no. W522902 |
| CAS Registry Number |
81-14-1 |
| 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 |
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 |
| Molecular Weight |
294.307 g/mol |
| Number of Peaks |
50 |
| RI1 |
1961 |
| RI2 |
1636 |
| RI3 |
2198 |
| RI4 |
2168 |
| RI5 |
1934 |
| SMILES |
C(C)(c1c(c(c(c(c1C)N(=O)=O)C(C)(C)C)N(=O)=O)C)=O |
| SPLASH |
splash10-0006-9630000000-26a27fefb8b9df9a1b89 |
| 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 |
Ethanone, 1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]- |
| Wiley ID |
LM_FFNSC3_680 |
