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(1S,5R,6R)-5,6-Bis-benzo[1,3]dioxol-5-yl-2-(piperidine-1-carbonyl)-cyclohex-3-enecarboxylic acid isobutyl-amide
SpectraBase Compound ID 2KoQNQO4RYn
InChI InChI=1S/C31H36N2O6/c1-19(2)16-32-30(34)29-23(31(35)33-12-4-3-5-13-33)9-8-22(20-6-10-24-26(14-20)38-17-36-24)28(29)21-7-11-25-27(15-21)39-18-37-25/h6-11,14-15,19,22-23,28-29H,3-5,12-13,16-18H2,1-2H3,(H,32,34)/t22-,23?,28+,29+/m0/s1
InChIKey ZBKDZFAGSBEZLG-BIXUCJIJSA-N
Mol Weight 532.6 g/mol
Molecular Formula C31H36N2O6
Exact Mass 532.257337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MPXbvLvHMp
Name (1S,5R,6R)-5,6-Bis-benzo[1,3]dioxol-5-yl-2-(piperidine-1-carbonyl)-cyclohex-3-enecarboxylic acid isobutyl-amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H36N2O6
InChI InChI=1S/C31H36N2O6/c1-19(2)16-32-30(34)29-23(31(35)33-12-4-3-5-13-33)9-8-22(20-6-10-24-26(14-20)38-17-36-24)28(29)21-7-11-25-27(15-21)39-18-37-25/h6-11,14-15,19,22-23,28-29H,3-5,12-13,16-18H2,1-2H3,(H,32,34)/t22-,23?,28+,29+/m0/s1
InChIKey ZBKDZFAGSBEZLG-BIXUCJIJSA-N
Molecular Weight 532.637 g/mol
SMILES N(C([C@@]1(C(C(N2CCCCC2)=O)C=C[C@]([C@]1(c1cc2OCOc2cc1)[H])(c1cc2c(OCO2)cc1)[H])[H])=O)CC(C)C
SPLASH splash10-00l5-7691600000-d0c04cf3503264ff169b
Source of Spectrum F-67-1891-2
Synonyms Chabamide I
Wiley ID 1685884