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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]-, cis-
SpectraBase Compound ID AQsAbicfk62
InChI InChI=1S/C17H26N2O3/c1-16-10-20-17(21-11-16,22-12-16)9-5-4-8-15-18-13-6-2-3-7-14(13)19-15/h2-3,13-14H,4-12H2,1H3,(H,18,19)/t13-,14+,16?,17?
InChIKey KIEHRKXYVOSGMM-CBHXASLJSA-N
Mol Weight 306.41 g/mol
Molecular Formula C17H26N2O3
Exact Mass 306.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwtyR24BOGi
Name 1H-Benzimidazole, 3a,4,7,7a-tetrahydro-2-[4-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)butyl]-, cis-
CAS Registry Number 129884-44-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26N2O3
InChI InChI=1S/C17H26N2O3/c1-16-10-20-17(21-11-16,22-12-16)9-5-4-8-15-18-13-6-2-3-7-14(13)19-15/h2-3,13-14H,4-12H2,1H3,(H,18,19)/t13-,14+,16?,17?
InChIKey KIEHRKXYVOSGMM-CBHXASLJSA-N
Molecular Weight 306.406 g/mol
SMILES N1[C@]2(CC=CC[C@]2(N=C1CCCCC12OCC(CO2)(C)CO1)[H])[H]
SPLASH splash10-0012-9730000000-f2d5271d75eb92bcc4e1
Source of Spectrum KC-1990-382-23
Synonyms 2,6,7-Trioxabicyclo[2.2.2]octane, 1H-benzimidazole deriv. (3aR,7aS)-2-[4-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)butyl]-3a,4,7,7a-tetrahydro-1H-benzimidazole 2-[4-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)butyl]-3a,4,7,7a-tetrahydro-1H-benzimidazole
Wiley ID 1308134