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(1S,2R,3aS,7aR)-1,4-Bis[2-2'-bis(acetamido)indan-1-yl]-buta-1,3-diene
SpectraBase Compound ID JiqvltL6Vvg
InChI InChI=1S/C26H40N2O2/c1-17(29)27-25-15-19-9-3-5-11-21(19)23(25)13-7-8-14-24-22-12-6-4-10-20(22)16-26(24)28-18(2)30/h7-8,13-14,19-26H,3-6,9-12,15-16H2,1-2H3,(H,27,29)(H,28,30)/b13-7+,14-8+/t19-,20-,21+,22+,23-,24-,25+,26+/m0/s1
InChIKey ZUOTVVMJCZJBLP-YTDDQILDSA-N
Mol Weight 412.6 g/mol
Molecular Formula C26H40N2O2
Exact Mass 412.308979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6aTRAbpKjVY
Name (1S,2R,3aS,7aR)-1,4-Bis[2-2'-bis(acetamido)indan-1-yl]-buta-1,3-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40N2O2
InChI InChI=1S/C26H40N2O2/c1-17(29)27-25-15-19-9-3-5-11-21(19)23(25)13-7-8-14-24-22-12-6-4-10-20(22)16-26(24)28-18(2)30/h7-8,13-14,19-26H,3-6,9-12,15-16H2,1-2H3,(H,27,29)(H,28,30)/b13-7+,14-8+/t19-,20-,21+,22+,23-,24-,25+,26+/m0/s1
InChIKey ZUOTVVMJCZJBLP-YTDDQILDSA-N
Molecular Weight 412.618 g/mol
SMILES N([C@]1([C@@](\C=C\C=C\[C@@]2([C@@](C[C@@]3(CCCC[C@@]23[H])[H])(NC(=O)C)[H])[H])([C@]2([C@](C1)(CCCC2)[H])[H])[H])[H])C(=O)C
SPLASH splash10-0006-9241000000-f115ce7d2a0cd7f2bd3f
Source of Spectrum C-117-10912-38
Synonyms 1,4-Bis[2-2'-bis(acetamido)indan-1-yl]buta-1,3-diene N-((1S,2R,3aS,7aR)-1-{(1E,3E)-4-[(1S,2R,3aS,7aR)-2-(acetylamino)octahydro-1H-inden-1-yl]-1,3-butadienyl}octahydro-1H-inden-2-yl)acetamide
Wiley ID 759379