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1-Benzyl-2-(3-hydroxypentan-3-yl)hexahydroazepine
SpectraBase Compound ID 5uySgZZpLSo
InChI InChI=1S/C18H29NO/c1-3-18(20,4-2)17-13-9-6-10-14-19(17)15-16-11-7-5-8-12-16/h5,7-8,11-12,17,20H,3-4,6,9-10,13-15H2,1-2H3
InChIKey UTVXPGBEPUVLDY-UHFFFAOYSA-N
Mol Weight 275.44 g/mol
Molecular Formula C18H29NO
Exact Mass 275.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cm0050wClLP
Name 1-Benzyl-2-(3-hydroxypentan-3-yl)hexahydroazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H29NO
InChI InChI=1S/C18H29NO/c1-3-18(20,4-2)17-13-9-6-10-14-19(17)15-16-11-7-5-8-12-16/h5,7-8,11-12,17,20H,3-4,6,9-10,13-15H2,1-2H3
InChIKey UTVXPGBEPUVLDY-UHFFFAOYSA-N
Molecular Weight 275.436 g/mol
SMILES OC(C1N(Cc2ccccc2)CCCCC1)(CC)CC
SPLASH splash10-000i-0910000000-c29f95eb84d3e69fc04b
Source of Spectrum F-51-3670-2
Synonyms 3-(1-benzylhexahydro-1H-azepin-2-yl)-3-pentanol
Wiley ID 791699