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trans-4-N-Benzyl-6-hexyloctahydrobenzo[c]azepin-3-one
SpectraBase Compound ID Lmcyq4cwces
InChI InChI=1S/C23H33NO/c1-2-3-4-6-9-19-12-13-22-18-24(17-20-10-7-5-8-11-20)23(25)15-14-21(22)16-19/h5,7-8,10-11,16,21-22H,2-4,6,9,12-15,17-18H2,1H3/t21-,22+/m1/s1
InChIKey RLITYHVMHSOOLR-YADHBBJMSA-N
Mol Weight 339.5 g/mol
Molecular Formula C23H33NO
Exact Mass 339.256215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6bhBxtKWtg
Name trans-4-N-Benzyl-6-hexyloctahydrobenzo[c]azepin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33NO
InChI InChI=1S/C23H33NO/c1-2-3-4-6-9-19-12-13-22-18-24(17-20-10-7-5-8-11-20)23(25)15-14-21(22)16-19/h5,7-8,10-11,16,21-22H,2-4,6,9,12-15,17-18H2,1H3/t21-,22+/m1/s1
InChIKey RLITYHVMHSOOLR-YADHBBJMSA-N
Molecular Weight 339.523 g/mol
SMILES C1(N(C[C@@]2(CCC(=C[C@]2(CC1)[H])CCCCCC)[H])Cc1ccccc1)=O
SPLASH splash10-004i-9731000000-9be1e486627a7b7de83d
Source of Spectrum HE-1999-1882-21
Synonyms (5aR,9aR)-2-benzyl-7-hexyl-1,2,4,5,5a,8,9,9a-octahydro-3H-2-benzazepin-3-one (trans)-2-Pentyl-7(N)-benzyl-8-oxo-7-azabicyclo[5.4.0(5,11)]undec-1-ene trans-4-N-Benzyl-8-hexyloctahydrobenzo[c]azepin-3-one
Wiley ID 1613554