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3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-(3-methyl-1-oxo-2-pentenyl)-, 2,2-dioxide, [3aS-[1(E),3a.alpha.,6.alpha.,7a.beta.]]-
SpectraBase Compound ID HytBbhjjOe
InChI InChI=1S/C16H25NO3S/c1-5-11(2)8-14(18)17-13-9-12-6-7-16(13,15(12,3)4)10-21(17,19)20/h8,12-13H,5-7,9-10H2,1-4H3/b11-8+/t12-,13+,16+/m0/s1
InChIKey CGFMYBYJZAPLFH-ACKZMQFVSA-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 3zEcY6vJtJq
Name 3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-(3-methyl-1-oxo-2-pentenyl)-, 2,2-dioxide, [3aS-[1(E),3a.alpha.,6.alpha.,7a.beta.]]-
CAS Registry Number 104651-08-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NO3S
InChI InChI=1S/C16H25NO3S/c1-5-11(2)8-14(18)17-13-9-12-6-7-16(13,15(12,3)4)10-21(17,19)20/h8,12-13H,5-7,9-10H2,1-4H3/b11-8+/t12-,13+,16+/m0/s1
InChIKey CGFMYBYJZAPLFH-ACKZMQFVSA-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\(CC)C)=O)[H]
SPLASH splash10-0002-9000000000-950858cdbe8b6470f53b
Source of Spectrum H-70-1670-2
Synonyms (1S,5R,7S)-10,10-dimethyl-4-[(2E)-3-methyl-2-pentenoyl]-3-thia-4-azatricyclo[5.2.1.0(1,5)]decane 3,3-dioxide N[(E)-3-methyl-2-pentenoyl]bornane-10,2-sultam
Wiley ID 1312372