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trans-9-hydroxy-8-methyl-7-(4-phenylbutyl)-3,5,6,7,8,8-hexahydrooxazolo[4,5-h]-[3]benzazepin-2-one
SpectraBase Compound ID Hgs9481FDpa
InChI InChI=1S/C22H26N2O3/c1-15-21(25)18-14-20-19(23-22(26)27-20)13-17(18)10-12-24(15)11-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,13-15,21,25H,5-6,9-12H2,1H3,(H,23,26)/t15-,21-/m1/s1
InChIKey FNIRAVALDMEFGC-QVKFZJNVSA-N
Mol Weight 366.46 g/mol
Molecular Formula C22H26N2O3
Exact Mass 366.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dlr3eL3WuCZ
Name trans-9-hydroxy-8-methyl-7-(4-phenylbutyl)-3,5,6,7,8,8-hexahydrooxazolo[4,5-h]-[3]benzazepin-2-one
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26N2O3
InChI InChI=1S/C22H26N2O3/c1-15-21(25)18-14-20-19(23-22(26)27-20)13-17(18)10-12-24(15)11-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,13-15,21,25H,5-6,9-12H2,1H3,(H,23,26)/t15-,21-/m1/s1
InChIKey FNIRAVALDMEFGC-QVKFZJNVSA-N
Instrument Name Thermo Finnigan MAT LCQ
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202200177
Molecular Weight 366.461 g/mol
SMILES N1c2c(cc3c(CCN([C@@]([C@]3(O)[H])(C)[H])CCCCc3ccccc3)c2)OC1=O
SPLASH splash10-0007-2971000000-a7bc2c84dcd41fac814b
Source of Spectrum APC-355-9-trans-6a
Wiley ID 1873053