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(1S,2R,5R,7S)-5-Acetyl-10,10-dimethyl-4-oxa-6-thiatricyclo[7.1.1.0(2,7)]undecane
SpectraBase Compound ID 6f9qd1lrsUn
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
Mol Weight 240.36 g/mol
Molecular Formula C13H20O2S
Exact Mass 240.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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