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1-Benzyl-2-[2-(1,3-dioxan-2-yl)ethyl]-7-methyl-azepane
SpectraBase Compound ID 5PNag3zu57x
InChI InChI=1S/C20H31NO2/c1-17-8-5-6-11-19(12-13-20-22-14-7-15-23-20)21(17)16-18-9-3-2-4-10-18/h2-4,9-10,17,19-20H,5-8,11-16H2,1H3
InChIKey COJNXIKDEFBUQL-UHFFFAOYSA-N
Mol Weight 317.47 g/mol
Molecular Formula C20H31NO2
Exact Mass 317.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mwyEAeYO8
Name 1-Benzyl-2-[2-(1,3-dioxan-2-yl)ethyl]-7-methyl-azepane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NO2
InChI InChI=1S/C20H31NO2/c1-17-8-5-6-11-19(12-13-20-22-14-7-15-23-20)21(17)16-18-9-3-2-4-10-18/h2-4,9-10,17,19-20H,5-8,11-16H2,1H3
InChIKey COJNXIKDEFBUQL-UHFFFAOYSA-N
Molecular Weight 317.473 g/mol
SMILES C(N1C(CCC2OCCCO2)CCCCC1C)c1ccccc1
SPLASH splash10-0f6x-9170000000-3f3cc0efb53783f4810e
Source of Spectrum G4-64-426-13
Synonyms 2-[2-(1,3-dioxan-2-yl)ethyl]-7-methyl-1-(phenylmethyl)azepane
Wiley ID 1608872