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(+)-(S,Z)-4-(1-(2-nitrophenylsulfonyl)-1,2,3,6,7,8-hexahydroazocin-2-yl)butanoic acid
SpectraBase Compound ID 2YV6m9Y0m8N
InChI InChI=1S/C17H22N2O6S/c20-17(21)12-7-9-14-8-3-1-2-6-13-18(14)26(24,25)16-11-5-4-10-15(16)19(22)23/h1,3-5,10-11,14H,2,6-9,12-13H2,(H,20,21)/b3-1-/t14-/m1/s1
InChIKey INSVKXUAMJKNEU-NPPUXFBVSA-N
Mol Weight 382.43 g/mol
Molecular Formula C17H22N2O6S
Exact Mass 382.119858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNvJiWbGohk
Name (+)-(S,Z)-4-(1-(2-nitrophenylsulfonyl)-1,2,3,6,7,8-hexahydroazocin-2-yl)butanoic acid
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Formula C17H22N2O6S
InChI InChI=1S/C17H22N2O6S/c20-17(21)12-7-9-14-8-3-1-2-6-13-18(14)26(24,25)16-11-5-4-10-15(16)19(22)23/h1,3-5,10-11,14H,2,6-9,12-13H2,(H,20,21)/b3-1-/t14-/m1/s1
InChIKey INSVKXUAMJKNEU-NPPUXFBVSA-N
Literature Reference DOI 10.1002/asia.200700288
Molecular Weight 382.431 g/mol
SMILES OC(CCC[C@]1(C\C=C/CCCN1S(=O)(c1ccccc1[N+](=O)[O-])=O)[H])=O
SPLASH splash10-0002-4691000000-c82a42972b8411ebf21e
Source of Spectrum CAJ-3-315-19a
Synonyms (S,Z)-4-(1-((2-nitrophenyl)sulfonyl)-1,2,3,6,7,8-hexahydroazocin-2-yl)butanoic acid
Wiley ID 1774542