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3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-(1-oxo-2-hexenyl)-, 2,2-dioxide, [3aS-[1(E),3a.alpha.,6.alpha.,7a.beta.]]-
SpectraBase Compound ID 2uNwIdxMZ5K
InChI InChI=1S/C16H25NO3S/c1-4-5-6-7-14(18)17-13-10-12-8-9-16(13,15(12,2)3)11-21(17,19)20/h6-7,12-13H,4-5,8-11H2,1-3H3/b7-6-/t12-,13+,16+/m0/s1
InChIKey GLXWMKDDPWPFAR-CNHYQSHJSA-N
Mol Weight 311.44 g/mol
Molecular Formula C16H25NO3S
Exact Mass 311.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FeIIFYSZJwN
Name 3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-(1-oxo-2-hexenyl)-, 2,2-dioxide, [3aS-[1(E),3a.alpha.,6.alpha.,7a.beta.]]-
Alternate Name(s) (1S,5R,7S)-4-[(2Z)-2-hexenoyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.0(1,5)]decane 3,3-dioxide N-[(E)-2-hexenoyl]bornane-10,2-sultam
CAS Registry Number 114951-07-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NO3S
InChI InChI=1S/C16H25NO3S/c1-4-5-6-7-14(18)17-13-10-12-8-9-16(13,15(12,2)3)11-21(17,19)20/h6-7,12-13H,4-5,8-11H2,1-3H3/b7-6-/t12-,13+,16+/m0/s1
InChIKey GLXWMKDDPWPFAR-CNHYQSHJSA-N
Molecular Weight 311.440 g/mol
SMILES [C@@]12(N(S(C[C@@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C(\C=C/CCC)=O)[H]
SPLASH splash10-0a4k-9010000000-869d8087b3b8ae817f7b
Source of Spectrum H-70-1670-2
Wiley ID 1312371