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(+)-(S,Z)-tert-butyl 4-(1-(2-nitrophenylsulfonyl)-1,2,3,6,7,8-hexahydroazocin-2-yl)butanoate
SpectraBase Compound ID H6nHvpz1zTX
InChI InChI=1S/C21H30N2O6S/c1-21(2,3)29-20(24)15-10-12-17-11-6-4-5-9-16-22(17)30(27,28)19-14-8-7-13-18(19)23(25)26/h4,6-8,13-14,17H,5,9-12,15-16H2,1-3H3/b6-4-/t17-/m1/s1
InChIKey MILCWIJKYCTSOY-XQDHMALISA-N
Mol Weight 438.54 g/mol
Molecular Formula C21H30N2O6S
Exact Mass 438.182458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cue2vfReH8p
Name (+)-(S,Z)-tert-butyl 4-(1-(2-nitrophenylsulfonyl)-1,2,3,6,7,8-hexahydroazocin-2-yl)butanoate
Alternate Name(s) (S,Z)-tert-butyl 4-(1-((2-nitrophenyl)sulfonyl)-1,2,3,6,7,8-hexahydroazocin-2-yl)butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30N2O6S
InChI InChI=1S/C21H30N2O6S/c1-21(2,3)29-20(24)15-10-12-17-11-6-4-5-9-16-22(17)30(27,28)19-14-8-7-13-18(19)23(25)26/h4,6-8,13-14,17H,5,9-12,15-16H2,1-3H3/b6-4-/t17-/m1/s1
InChIKey MILCWIJKYCTSOY-XQDHMALISA-N
Literature Reference DOI 10.1002/asia.200700288
Molecular Weight 438.539 g/mol
SMILES C1N(S(=O)(c2ccccc2[N+](=O)[O-])=O)[C@](C\C=C/CC1)(CCCC(=O)OC(C)(C)C)[H]
SPLASH splash10-0002-2492000000-abd827ef87e6de3fec13
Source of Spectrum CAJ-3-315-19
Wiley ID 1774543