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[(1' R)-1-(2'-Methoxyethyl)butyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbothioate
SpectraBase Compound ID GfIiL4rwoPx
InChI InChI=1S/C17H28O4S/c1-6-7-12(8-11-20-5)22-14(19)17-10-9-16(4,13(18)21-17)15(17,2)3/h12H,6-11H2,1-5H3/t12-,16-,17+/m0/s1
InChIKey RIQGCXYGOKGERU-AFAVFJNCSA-N
Mol Weight 328.47 g/mol
Molecular Formula C17H28O4S
Exact Mass 328.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EhCDd4S7jZ
Name [(1' R)-1-(2'-Methoxyethyl)butyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbothioate
Alternate Name(s) (1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]heptane-1-carbothioic acidS-[(S)-1-(2-methoxy-ethyl)-butyl]ester [(1' S)-1-(2'-Methoxyethyl)butyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbothioate 1-[(1R)-(2'-Methoxyethyl)butyl]4,7,7-trimethyl-3-oxo-3-oxabicyclo[2.2.1]heptane-1-carbothioate 1-[(1S)-(2'-Methoxyethyl)butyl]4,7,7-trimethyl-3-oxo-3-oxabicyclo[2.2.1]heptane-1-carbothioate S-[(1S)-1-(2-methoxyethyl)butyl](1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbothioate
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Formula C17H28O4S
InChI InChI=1S/C17H28O4S/c1-6-7-12(8-11-20-5)22-14(19)17-10-9-16(4,13(18)21-17)15(17,2)3/h12H,6-11H2,1-5H3/t12-,16-,17+/m0/s1
InChIKey RIQGCXYGOKGERU-AFAVFJNCSA-N
Molecular Weight 328.467 g/mol
SMILES [C@@]12(OC(=O)[C@](C2(C)C)(C)CC1)C(S[C@](CCOC)(CCC)[H])=O
SPLASH splash10-01q9-4911000000-a0d2383cd7e016e8fa5f
Source of Spectrum H-85-1257-0
Wiley ID 1524407