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[3S-(3.beta.,3a.alpha.,6.alpha.)]-3-butyl-3,3a,5,6-tetrahydrothieno-[3,2-c]isoxazol-6-yl carbamic acid methyl ester
SpectraBase Compound ID 78BL8viUKUV
InChI InChI=1S/C11H18N2O3S/c1-3-4-5-8-10-9(13-16-8)7(6-17-10)12-11(14)15-2/h7-8,10H,3-6H2,1-2H3,(H,12,14)/t7-,8-,10+/m0/s1
InChIKey PXYQYBLBGXNCMR-OYNCUSHFSA-N
Mol Weight 258.34 g/mol
Molecular Formula C11H18N2O3S
Exact Mass 258.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTtaUvuvvvl
Name [3S-(3.beta.,3a.alpha.,6.alpha.)]-3-butyl-3,3a,5,6-tetrahydrothieno-[3,2-c]isoxazol-6-yl carbamic acid methyl ester
Alternate Name(s) Methyl (3S,3aS,6R)-3-butyl-3,3a,5,6-tetrahydrothieno[3,2-c]isoxazol-6-ylcarbamate N-[(3S,3aS,6R)-3-butyl-3,3a,5,6-tetrahydrothieno[3,2-c]isoxazol-6-yl]carbamic acid methyl ester Methyl N-[(3S,3aS,6R)-3-butyl-3,3a,5,6-tetrahydrothieno[3,2-c]isoxazol-6-yl]carbamate Methyl N-[(3S,3aS,6R)-3-butyl-3,3a,5,6-tetrahydrothieno[3,2-c][1,2]oxazol-6-yl]carbamate
CAS Registry Number 76190-67-5
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Formula C11H18N2O3S
InChI InChI=1S/C11H18N2O3S/c1-3-4-5-8-10-9(13-16-8)7(6-17-10)12-11(14)15-2/h7-8,10H,3-6H2,1-2H3,(H,12,14)/t7-,8-,10+/m0/s1
InChIKey PXYQYBLBGXNCMR-OYNCUSHFSA-N
Molecular Weight 258.336 g/mol
SMILES N([C@@]1(C2=NO[C@]([C@]2(SC1)[H])(CCCC)[H])[H])C(=O)OC
SPLASH splash10-1000-0960000000-252af0413c23c7932be7
Source of Spectrum F-43-4897-0
Wiley ID 1261327