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(8RS,9RS)-3-allyl-9-hydroxy-8-methyl-7-(4-phenylbutyl)-3,5,6,7,8,9-hexahydrooxazolo[4,5-h][3]benzazepine-2-one
SpectraBase Compound ID EffLwhGIci4
InChI InChI=1S/C25H30N2O3/c1-3-13-27-22-16-20-12-15-26(14-8-7-11-19-9-5-4-6-10-19)18(2)24(28)21(20)17-23(22)30-25(27)29/h3-6,9-10,16-18,24,28H,1,7-8,11-15H2,2H3
InChIKey UXTQJFUOZBTYGM-UHFFFAOYSA-N
Mol Weight 406.53 g/mol
Molecular Formula C25H30N2O3
Exact Mass 406.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeZG3NOmhde
Name (8RS,9RS)-3-allyl-9-hydroxy-8-methyl-7-(4-phenylbutyl)-3,5,6,7,8,9-hexahydrooxazolo[4,5-h][3]benzazepine-2-one
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30N2O3
InChI InChI=1S/C25H30N2O3/c1-3-13-27-22-16-20-12-15-26(14-8-7-11-19-9-5-4-6-10-19)18(2)24(28)21(20)17-23(22)30-25(27)29/h3-6,9-10,16-18,24,28H,1,7-8,11-15H2,2H3
InChIKey UXTQJFUOZBTYGM-UHFFFAOYSA-N
Instrument Name Thermo Finnigan MAT LCQ
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202200177
Molecular Weight 406.526 g/mol
SMILES OC1C(N(CCc2c1cc1c(c2)N(C(O1)=O)CC=C)CCCCc1ccccc1)C
SPLASH splash10-0006-1930000000-feeb1552ccf2ba2220b7
Source of Spectrum APC-355-8-cis-14a
Thin-Layer Chromatography Rf = 0.07
Wiley ID 1873050