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1H-Benzimidazole, 3a,4,7,7a-tetrahydro-2-[4-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)butyl]-1-(phenylmethyl)-, cis-
SpectraBase Compound ID 3XWXawJBB2d
InChI InChI=1S/C24H32N2O3/c1-23-16-27-24(28-17-23,29-18-23)14-8-7-13-22-25-20-11-5-6-12-21(20)26(22)15-19-9-3-2-4-10-19/h2-6,9-10,20-21H,7-8,11-18H2,1H3
InChIKey XXFZBOYTHXELET-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C24H32N2O3
Exact Mass 396.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZndlW8SqYF
Name 1H-Benzimidazole, 3a,4,7,7a-tetrahydro-2-[4-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)butyl]-1-(phenylmethyl)-, cis-
CAS Registry Number 129884-42-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32N2O3
InChI InChI=1S/C24H32N2O3/c1-23-16-27-24(28-17-23,29-18-23)14-8-7-13-22-25-20-11-5-6-12-21(20)26(22)15-19-9-3-2-4-10-19/h2-6,9-10,20-21H,7-8,11-18H2,1H3
InChIKey XXFZBOYTHXELET-UHFFFAOYSA-N
Molecular Weight 396.531 g/mol
SMILES C=1(N(C2C(N1)CC=CC2)Cc1ccccc1)CCCCC12OCC(CO2)(C)CO1
SPLASH splash10-002u-6891000000-86ec8ceb8833e3018358
Source of Spectrum KC-1990-382-23
Synonyms 2,6,7-Trioxabicyclo[2.2.2]octane, 1H-benzimidazole deriv. 1-Benzyl-2-[4-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)butyl]-3a,4,7,7a-tetrahydro-1H-benzimidazole
Wiley ID 1367612