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(7S)-1-Benzyloxycarbonyl-7-isobutyl-1,3,4,7-tetrahydroazepin-2-one
SpectraBase Compound ID GnAeNDmP917
InChI InChI=1S/C18H23NO3/c1-14(2)12-16-10-6-7-11-17(20)19(16)18(21)22-13-15-8-4-3-5-9-15/h3-6,8-10,14,16H,7,11-13H2,1-2H3/t16-/m1/s1
InChIKey FQJAVDUUAYKDCT-MRXNPFEDSA-N
Mol Weight 301.39 g/mol
Molecular Formula C18H23NO3
Exact Mass 301.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LF7i9oOeW4A
Name (7S)-1-Benzyloxycarbonyl-7-isobutyl-1,3,4,7-tetrahydroazepin-2-one
Alternate Name(s) benzyl (7S)-7-isobutyl-2-oxo-2,3,4,7-tetrahydro-1H-azepine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO3
InChI InChI=1S/C18H23NO3/c1-14(2)12-16-10-6-7-11-17(20)19(16)18(21)22-13-15-8-4-3-5-9-15/h3-6,8-10,14,16H,7,11-13H2,1-2H3/t16-/m1/s1
InChIKey FQJAVDUUAYKDCT-MRXNPFEDSA-N
Molecular Weight 301.386 g/mol
SMILES C(N1[C@](C=CCCC1=O)(CC(C)C)[H])(OCc1ccccc1)=O
SPLASH splash10-0006-9020000000-317afcbf6f38763c9cd7
Source of Spectrum KC-0-3403-18
Wiley ID 782790