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3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(4-chloranyl-3-nitro-phenyl)methanone
SpectraBase Compound ID 7eUaE1HwlmB
InChI InChI=1S/C16H19ClN2O3/c17-14-6-5-12(9-15(14)19(21)22)16(20)18-8-7-11-3-1-2-4-13(11)10-18/h5-6,9,11,13H,1-4,7-8,10H2
InChIKey JLCXWYPZAHWPAJ-UHFFFAOYSA-N
Mol Weight 322.79 g/mol
Molecular Formula C16H19ClN2O3
Exact Mass 322.10842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B48CNHrT4KG
Name 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(4-chloranyl-3-nitro-phenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19ClN2O3
InChI InChI=1S/C16H19ClN2O3/c17-14-6-5-12(9-15(14)19(21)22)16(20)18-8-7-11-3-1-2-4-13(11)10-18/h5-6,9,11,13H,1-4,7-8,10H2
InChIKey JLCXWYPZAHWPAJ-UHFFFAOYSA-N
Molecular Weight 322.792 g/mol
SMILES C1CC2CCN(C(c3cc(N(=O)=O)c(cc3)Cl)=O)CC2CC1
SPLASH splash10-000f-9500000000-894cc8ecef413315b388
Synonyms 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(4-chloro-3-nitro-phenyl)methanone
Wiley ID 1451405