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N-[(E)-[1,2-13C2]crotonyl]bornane-10,2-sultam
SpectraBase Compound ID AnDM4urpfAK
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/i5+1,12+1
InChIKey BKPQKSSKLBTRJO-BBNQBAOWSA-N
Mol Weight 285.37 g/mol
Molecular Formula C1213C2H21NO3S
Exact Mass 285.130924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36K3wE6SyYc
Name N-[(E)-[1,2-13C2]crotonyl]bornane-10,2-sultam
Comments Original formula: C12[13C]2H21NO3S
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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/i5+1,12+1
InChIKey BKPQKSSKLBTRJO-BBNQBAOWSA-N
Molecular Weight 285.371 g/mol
SMILES C1S(N([13C](\[13CH]=C\C)=O)[C@@]2(C[C@]3(C([C@@]12CC3)(C)C)[H])[H])(=O)=O
SPLASH splash10-05g0-9580000000-5f33666138855bbe0f46
Source of Spectrum KC-0-3415-45
Synonyms (1S,2R)-N-[(E)-[1,2-13C2]crotonyl]bornane-10,2-sultam
Wiley ID 831765