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3H-3a,6-Methano-2,1-benzisothiazole, 1-(1-cyclohexen-1-ylcarbonyl)hexahydro-8,8-dimethyl-, 2,2-dioxide, [3aS-(3a.alpha.,6.alpha.,7a.beta.)]-
SpectraBase Compound ID 1OerfGOalyE
InChI InChI=1S/C17H25NO3S/c1-16(2)13-8-9-17(16)11-22(20,21)18(14(17)10-13)15(19)12-6-4-3-5-7-12/h6,13-14H,3-5,7-11H2,1-2H3/t13-,14+,17+/m0/s1
InChIKey AHNGZOFZVOAIAC-JJRVBVJISA-N
Mol Weight 323.45 g/mol
Molecular Formula C17H25NO3S
Exact Mass 323.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOw3hWGzi0x
Name 3H-3a,6-Methano-2,1-benzisothiazole, 1-(1-cyclohexen-1-ylcarbonyl)hexahydro-8,8-dimethyl-, 2,2-dioxide, [3aS-(3a.alpha.,6.alpha.,7a.beta.)]-
CAS Registry Number 121560-18-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25NO3S
InChI InChI=1S/C17H25NO3S/c1-16(2)13-8-9-17(16)11-22(20,21)18(14(17)10-13)15(19)12-6-4-3-5-7-12/h6,13-14H,3-5,7-11H2,1-2H3/t13-,14+,17+/m0/s1
InChIKey AHNGZOFZVOAIAC-JJRVBVJISA-N
Molecular Weight 323.451 g/mol
SMILES [C@@]12(N(S(C[C@@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C(C1=CCCCC1)=O)[H]
SPLASH splash10-0pdi-9800000000-05e3bad05a7e2421c199
Source of Spectrum F-45-484-13
Synonyms (1S,5R,7S)-4-(1-cyclohexen-1-ylcarbonyl)-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.0(1,5)]decane 3,3-dioxide N[1-cyclohexenoyl]bornane-10,2-sultam
Wiley ID 1322404