| SpectraBase Spectrum ID |
1B7PAiXWYC |
| Name |
Musk ketone |
| 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 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| 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 |
| Nominal Mass |
294 u |
| Number of Peaks |
223 |
| SMILES |
CC(C)(C)c1c(N(=O)=O)c(C)c(c(c1N(=O)=O)C)C(C)=O |
| SPLASH |
splash10-0006-9840000000-474f7c0897971c510924 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000971 |
