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Carbamic acid, (3-butylhexahydrothieno[3,2-c]isoxazol-6-yl)-, methyl ester, [3R-(3.alpha.,3a.beta.,6.alpha.,6a.beta.)]-
SpectraBase Compound ID FILxcpCnX9L
InChI InChI=1S/C11H20N2O3S/c1-3-4-5-8-10-9(13-16-8)7(6-17-10)12-11(14)15-2/h7-10,13H,3-6H2,1-2H3,(H,12,14)/t7-,8+,9-,10-/m0/s1
InChIKey UELXSVAVBORQFS-JXUBOQSCSA-N
Mol Weight 260.35 g/mol
Molecular Formula C11H20N2O3S
Exact Mass 260.119464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mXaMNRSjy5
Name Carbamic acid, (3-butylhexahydrothieno[3,2-c]isoxazol-6-yl)-, methyl ester, [3R-(3.alpha.,3a.beta.,6.alpha.,6a.beta.)]-
Alternate Name(s) Thieno[3,2-c]isoxazole, carbamic acid deriv. Methyl (3R,3aR,6R,6aS)-3-butylhexahydrothieno[3,2-c]isoxazol-6-ylcarbamate [3R-(3.alpha.,3a.beta.,6.alpha.,6a.beta.)-3-butylhexahydrothieno-[3,2-c]isoxazol-6-yl carbamic acid methyl ester
CAS Registry Number 76231-38-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20N2O3S
InChI InChI=1S/C11H20N2O3S/c1-3-4-5-8-10-9(13-16-8)7(6-17-10)12-11(14)15-2/h7-10,13H,3-6H2,1-2H3,(H,12,14)/t7-,8+,9-,10-/m0/s1
InChIKey UELXSVAVBORQFS-JXUBOQSCSA-N
Molecular Weight 260.352 g/mol
SMILES N1O[C@@]([C@]2([C@@]1([C@](CS2)(NC(=O)OC)[H])[H])[H])(CCCC)[H]
SPLASH splash10-0udi-0900000000-e5357385ba5a2a0ddebc
Source of Spectrum F-43-4898-12
Wiley ID 1263262