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(4aR,6R)-6-chloro-3,4,4a,5,6,7-hexahydrobenzo[f]pyrido[1,2-a]azepin-1(2H)-one
SpectraBase Compound ID 9Wjpoaa8QUC
InChI InChI=1S/C14H16ClNO/c15-11-8-10-4-1-2-6-13(10)16-12(9-11)5-3-7-14(16)17/h1-2,4,6,11-12H,3,5,7-9H2/t11-,12-/m1/s1
InChIKey HQRRVDKXLLTPIV-VXGBXAGGSA-N
Mol Weight 249.74 g/mol
Molecular Formula C14H16ClNO
Exact Mass 249.092042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85Xbi8K1VQ8
Name (4aR,6R)-6-chloro-3,4,4a,5,6,7-hexahydrobenzo[f]pyrido[1,2-a]azepin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16ClNO
InChI InChI=1S/C14H16ClNO/c15-11-8-10-4-1-2-6-13(10)16-12(9-11)5-3-7-14(16)17/h1-2,4,6,11-12H,3,5,7-9H2/t11-,12-/m1/s1
InChIKey HQRRVDKXLLTPIV-VXGBXAGGSA-N
Literature Reference DOI 10.1021/ol100220c
Molecular Weight 249.741 g/mol
SMILES c1cc2c(cc1)N1[C@](C[C@](Cl)(C2)[H])([H])CCCC1=O
SPLASH splash10-03dm-0490000000-a4a1f2bda410f704ea9d
Source of Spectrum A1-12-1696/SM22-12
Wiley ID 1751955