| SpectraBase Spectrum ID |
LZXBL2KdNpY |
| Name |
methyl (1S,4aR,5S,8aS)-1,4a-dimethyl-6-oxo-5-(2-oxoethyl)decalin-1-carboxylate |
| Appearance |
Colorless crystals |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.167459249 u |
| Formula |
C16H24O4 |
| GC Column |
DB-5 (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C16H24O4/c1-15-8-4-9-16(2,14(19)20-3)13(15)6-5-12(18)11(15)7-10-17/h10-11,13H,4-9H2,1-3H3/t11-,13+,15+,16+/m1/s1 |
| InChIKey |
JHXGIZRVHPCERP-XTBFLFJDSA-N |
| Instrument Name |
HP-5990/5970 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0004.a29 |
| Optical Rotation |
[a]D20 = +54.2 (c = 2.5, CHCl3) |
| Quality |
47 |
| SMILES |
C1C[C@@]2([C@@]([C@@](C1)(C)C(=O)OC)(CCC([C@]2(CC=O)[H])=O)[H])C |
| SPLASH |
splash10-00di-0960000000-6f6863bb4ec8b442f351 |
| Source of Spectrum |
ARK-2003-317-4 (DOI: 10.3998/ark.5550190.0004.a29) |
| Wiley ID |
1899704 |
