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3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-(1-oxo-2-pentynyl)-, 2,2-dioxide, [3aS-(3a.alpha.,6.alpha.,7a.beta.)]-
SpectraBase Compound ID HfbYM0lyT4x
InChI InChI=1S/C15H21NO3S/c1-4-5-6-13(17)16-12-9-11-7-8-15(12,14(11,2)3)10-20(16,18)19/h11-12H,4,7-10H2,1-3H3/t11-,12+,15+/m0/s1
InChIKey NDJHCKLKSMVMFH-YWPYICTPSA-N
Mol Weight 295.4 g/mol
Molecular Formula C15H21NO3S
Exact Mass 295.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHZQKlSYP1X
Name 3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-(1-oxo-2-pentynyl)-, 2,2-dioxide, [3aS-(3a.alpha.,6.alpha.,7a.beta.)]-
Alternate Name(s) (1S,5R,7S)-10,10-dimethyl-4-(2-pentynoyl)-3-thia-4-azatricyclo[5.2.1.0(1,5)]decane 3,3-dioxide N-(2-pentynoyl)bornane-10,2-sultam
CAS Registry Number 114951-09-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO3S
InChI InChI=1S/C15H21NO3S/c1-4-5-6-13(17)16-12-9-11-7-8-15(12,14(11,2)3)10-20(16,18)19/h11-12H,4,7-10H2,1-3H3/t11-,12+,15+/m0/s1
InChIKey NDJHCKLKSMVMFH-YWPYICTPSA-N
Molecular Weight 295.397 g/mol
SMILES [C@@]12(N(S(C[C@@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C(C#CCC)=O)[H]
SPLASH splash10-001i-9100000000-110b1219738693ab2fa1
Source of Spectrum H-70-1671-3
Wiley ID 1298112