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5-Acetyl-10b,11,12,13,14,14a-Hexahydro-11,14-methanotribenz[b,d,f]azocin-6-one
SpectraBase Compound ID CA6RHMWI9Ao
InChI InChI=1S/C22H21NO2/c1-13(24)23-19-9-5-4-8-18(19)21-15-11-10-14(12-15)20(21)16-6-2-3-7-17(16)22(23)25/h2-9,14-15,20-21H,10-12H2,1H3/t14-,15+,20-,21+/m1/s1
InChIKey YXPHXVXJKPTWGC-CALQCPNCSA-N
Mol Weight 331.42 g/mol
Molecular Formula C22H21NO2
Exact Mass 331.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5NKuN1feotc
Name 5-Acetyl-10b,11,12,13,14,14a-Hexahydro-11,14-methanotribenz[b,d,f]azocin-6-one
Appearance Bright needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.157228918 u
Formula C22H21NO2
InChI InChI=1S/C22H21NO2/c1-13(24)23-19-9-5-4-8-18(19)21-15-11-10-14(12-15)20(21)16-6-2-3-7-17(16)22(23)25/h2-9,14-15,20-21H,10-12H2,1H3/t14-,15+,20-,21+/m1/s1
InChIKey YXPHXVXJKPTWGC-CALQCPNCSA-N
Instrument Name Finnigan Mat SSQ 710
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0003.514
Molecular Weight 331.415 g/mol
SMILES C1[C@]2(C[C@@](C1)([C@]1([C@@]2(C2=C(N(C(C3=C1C=CC=C3)=O)C(C)=O)C=CC=C2)[H])[H])[H])[H]
SPLASH splash10-000i-0090000000-8c334e5589199a53491c
Source of Spectrum ARK-2002-123-3 (DOI: 10.3998/ark.5550190.0003.514)
Wiley ID 1904705