SpectraBase Spectrum ID |
EtdZAWspDJq |
Name |
4-Ethylthio-5-methyl-9-(3-oxobutyl)-2-oxatricyclo(4.4.0.0(4,9))decan-3-one |
Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C16H24O3S |
InChI |
InChI=1S/C16H24O3S/c1-4-20-16-13(18)19-12-10-15(16,9-6-11(2)17)8-5-7-14(12,16)3/h12H,4-10H2,1-3H3/t12-,14+,15+,16+/m0/s1 |
InChIKey |
QZBZPQKRMKDJFR-UHFFFAOYSA-N |
Ionization Type |
EI-B |
Molecular Weight |
296.425 g/mol |
SMILES |
CC(=O)CC[C@]12CCC[C@]3([C@]2(SCC)C(=O)O[C@]3(C1)[H])C |
SPLASH |
splash10-0007-3920000000-583c708a101ba805948c |
Source of Spectrum |
SRH-2022-4378-0 |
Wiley ID |
1826537 |