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4-Aza-5-thiatricyclo[5.2.1.0(3,7)]decane, 4-((1-13C)-2-butenoyl)-10,10-dimethyl-5,5-dioxo-
SpectraBase Compound ID 7wdqw4yMZVY
InChI InChI=1S/C14H21NO3S/c1-4-5-12(16)15-11-8-10-6-7-14(11,13(10,2)3)9-19(15,17)18/h4-5,10-11H,6-9H2,1-3H3/b5-4+/t10-,11+,14+/m0/s1/i12+1
InChIKey BKPQKSSKLBTRJO-PNSQUITDSA-N
Mol Weight 284.38 g/mol
Molecular Formula C1313CH21NO3S
Exact Mass 284.12757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jNrY2ZSytT
Name 4-Aza-5-thiatricyclo[5.2.1.0(3,7)]decane, 4-((1-13C)-2-butenoyl)-10,10-dimethyl-5,5-dioxo-
Comments Original formula: C13[13C]H21NO3S
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO3S
InChI InChI=1S/C14H21NO3S/c1-4-5-12(16)15-11-8-10-6-7-14(11,13(10,2)3)9-19(15,17)18/h4-5,10-11H,6-9H2,1-3H3/b5-4+/t10-,11+,14+/m0/s1/i12+1
InChIKey BKPQKSSKLBTRJO-PNSQUITDSA-N
Molecular Weight 284.378 g/mol
SMILES [C@@]12(N(S(C[C@@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)[13C](\C=C\C)=O)[H]
SPLASH splash10-00di-9160000000-369a9daa4f924de5b718
Source of Spectrum KC-0-3415-45
Synonyms N-[[1-¹³C]crotonyl]bornane-10,2-sultam
Wiley ID 831766