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(1S,2R,5R,7S,9R)-5-Benzoyl-10,10-dimethyl-4-oxa-6-thiatricyclo[7,1,1,0(2,7)]undecane

View entire compound with spectra: 1 MS (GC)

(1S,2R,5R,7S,9R)-5-Benzoyl-10,10-dimethyl-4-oxa-6-thiatricyclo[7,1,1,0(2,7)]undecane
SpectraBase Compound ID 5nSfadNA42d
InChI InChI=1S/C18H22O2S/c1-18(2)12-8-14(18)13-10-20-17(21-15(13)9-12)16(19)11-6-4-3-5-7-11/h3-7,12-15,17H,8-10H2,1-2H3/t12-,13+,14+,15+,17-/m1/s1
InChIKey MIKOUZOVESQRHE-JLHDYFKBSA-N
Mol Weight 302.43 g/mol
Molecular Formula C18H22O2S
Exact Mass 302.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGSdKbLbTvu
Name (1S,2R,5R,7S,9R)-5-Benzoyl-10,10-dimethyl-4-oxa-6-thiatricyclo[7,1,1,0(2,7)]undecane
Alternate Name(s) [(1S,2R,5R,7S,9R)-10,10-dimethyl-4-oxa-6-thiatricyclo[7.1.1.0(2,7)]undec-5-yl](phenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O2S
InChI InChI=1S/C18H22O2S/c1-18(2)12-8-14(18)13-10-20-17(21-15(13)9-12)16(19)11-6-4-3-5-7-11/h3-7,12-15,17H,8-10H2,1-2H3/t12-,13+,14+,15+,17-/m1/s1
InChIKey MIKOUZOVESQRHE-JLHDYFKBSA-N
Molecular Weight 302.432 g/mol
SMILES [C@@]12([C@]3([C@](S[C@@](OC3)(C(=O)c3ccccc3)[H])([H])C[C@](C2)([H])C1(C)C)[H])[H]
SPLASH splash10-0002-0900000000-f689b3e3b3d7f4311f95
Source of Spectrum KD-14-3228-1
Wiley ID 1636464