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1,4-Dithiaspiro[4.5]decane-6-propanamide, .beta.-phenyl-, [S-(R*,S*)]-
SpectraBase Compound ID KdWEZF11Xn7
InChI InChI=1S/C17H23NOS2/c18-16(19)12-14(13-6-2-1-3-7-13)15-8-4-5-9-17(15)20-10-11-21-17/h1-3,6-7,14-15H,4-5,8-12H2,(H2,18,19)/t14-,15-/m0/s1
InChIKey XHNKCBIDKJHTDA-GJZGRUSLSA-N
Mol Weight 321.5 g/mol
Molecular Formula C17H23NOS2
Exact Mass 321.122107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTUockqtsNG
Name 1,4-Dithiaspiro[4.5]decane-6-propanamide, .beta.-phenyl-, [S-(R*,S*)]-
CAS Registry Number 86661-29-2
Comments Less than 3 mono-isotopic peaks
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Formula C17H23NOS2
InChI InChI=1S/C17H23NOS2/c18-16(19)12-14(13-6-2-1-3-7-13)15-8-4-5-9-17(15)20-10-11-21-17/h1-3,6-7,14-15H,4-5,8-12H2,(H2,18,19)/t14-,15-/m0/s1
InChIKey XHNKCBIDKJHTDA-GJZGRUSLSA-N
Molecular Weight 321.497 g/mol
SMILES NC(C[C@]([C@]1(C2(SCCS2)CCCC1)[H])(c1ccccc1)[H])=O
SPLASH splash10-0089-0906000000-eb696e8565529660c4ee
Source of Spectrum K-116-2257-0
Synonyms (-)-(.beta.R,2S)-.beta.-phenylspiro[cyclohexan-1,2'-[1,3]dithiolan]-2-propionamide (3R)-3-[(6S)-1,4-dithiaspiro[4.5]dec-6-yl]-3-phenylpropanamide
Wiley ID 1320879