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3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-(1-oxo-2-butynyl)-, 2,2-dioxide, [3aS-(3a.alpha.,6.alpha.,7a.beta.)]-
SpectraBase Compound ID 4D0wrjZ2rzh
InChI InChI=1S/C14H19NO3S/c1-4-5-12(16)15-11-8-10-6-7-14(11,13(10,2)3)9-19(15,17)18/h10-11H,6-9H2,1-3H3/t10-,11+,14+/m0/s1
InChIKey PPHMUXASFPGHIM-MISXGVKJSA-N
Mol Weight 281.37 g/mol
Molecular Formula C14H19NO3S
Exact Mass 281.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEsiR6coQIe
Name 3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-(1-oxo-2-butynyl)-, 2,2-dioxide, [3aS-(3a.alpha.,6.alpha.,7a.beta.)]-
CAS Registry Number 114951-08-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NO3S
InChI InChI=1S/C14H19NO3S/c1-4-5-12(16)15-11-8-10-6-7-14(11,13(10,2)3)9-19(15,17)18/h10-11H,6-9H2,1-3H3/t10-,11+,14+/m0/s1
InChIKey PPHMUXASFPGHIM-MISXGVKJSA-N
Molecular Weight 281.370 g/mol
SMILES [C@@]12(N(S(C[C@@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C(C#CC)=O)[H]
SPLASH splash10-014i-9100000000-4ada17a02b9b8f167582
Source of Spectrum H-70-1670-3
Synonyms (1S,5R,7S)-4-(2-butynoyl)-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.0(1,5)]decane 3,3-dioxide N-(2-butynoyl)bornane-10,2-sultam
Wiley ID 1284762