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3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-(2-methyl-1-oxo-3-phenyl-2-propenyl)-, 2,2-dioxide, [3aS-[1(E),3a.alpha.,6.alpha.,7a.beta.]]-
SpectraBase Compound ID Bu3mIczcZZo
InChI InChI=1S/C20H25NO3S/c1-14(11-15-7-5-4-6-8-15)18(22)21-17-12-16-9-10-20(17,19(16,2)3)13-25(21,23)24/h4-8,11,16-17H,9-10,12-13H2,1-3H3/b14-11+/t16-,17+,20+/m0/s1
InChIKey QCJMVQNMURTKFV-ZGWAKXSPSA-N
Mol Weight 359.48 g/mol
Molecular Formula C20H25NO3S
Exact Mass 359.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7e5BlVPgNdt
Name 3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-(2-methyl-1-oxo-3-phenyl-2-propenyl)-, 2,2-dioxide, [3aS-[1(E),3a.alpha.,6.alpha.,7a.beta.]]-
CAS Registry Number 121560-17-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO3S
InChI InChI=1S/C20H25NO3S/c1-14(11-15-7-5-4-6-8-15)18(22)21-17-12-16-9-10-20(17,19(16,2)3)13-25(21,23)24/h4-8,11,16-17H,9-10,12-13H2,1-3H3/b14-11+/t16-,17+,20+/m0/s1
InChIKey QCJMVQNMURTKFV-ZGWAKXSPSA-N
Molecular Weight 359.484 g/mol
SMILES [C@@]12(N(S(C[C@@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C(\C(=C\c1ccccc1)C)=O)[H]
SPLASH splash10-0002-0901000000-9ff649914be8be314b22
Source of Spectrum F-45-484-6
Synonyms (1S,5R,7S)-10,10-dimethyl-4-[(2E)-2-methyl-3-phenyl-2-propenoyl]-3-thia-4-azatricyclo[5.2.1.0(1,5)]decane 3,3-dioxide N-[(E)-2-methyl-3-phenyl-2-propenoyl]bornane-10,2-sultam
Wiley ID 1347772