SpectraBase Spectrum ID |
C1bwpyCdEMF |
Name |
(1S,2R,5R,7S)-5-Acetyl-10,10-dimethyl-4-oxa-6-thiatricyclo[7.1.1.0(2,7)]undecane |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C13H20O2S |
InChI |
InChI=1S/C13H20O2S/c1-7(14)12-15-6-9-10-4-8(13(10,2)3)5-11(9)16-12/h8-12H,4-6H2,1-3H3/t8?,9-,10-,11-,12+/m0/s1 |
InChIKey |
QXCQPLPYDUVRGT-HHLGRRPGSA-N |
Molecular Weight |
240.361 g/mol |
SMILES |
[C@]12([C@]3([C@](S[C@@](OC3)(C(=O)C)[H])([H])CC(C1)C2(C)C)[H])[H] |
SPLASH |
splash10-054n-9800000000-0363bc6f9d14d310f59b |
Source of Spectrum |
QC-12-3099-12 |
Synonyms |
1-[(1S,2R,5R,7S)-10,10-dimethyl-4-oxa-6-thiatricyclo[7.1.1.0(2,7)]undec-5-yl]ethanone |
Wiley ID |
1634803 |