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10-(2-Phenylethynyl)-1-azatetracyclo[7.3.1.0(3,8).1(11,13)]tetradeca-3(8),9,11-trien-12-one
SpectraBase Compound ID 8hGmIjZu4GF
InChI InChI=1S/C21H17NO/c23-21-18-12-19-20(16-9-5-4-8-15(16)13-22(19)21)17(18)11-10-14-6-2-1-3-7-14/h1-9,17-20H,12-13H2/t17-,18+,19-,20?/m1/s1
InChIKey ZXHQCYZPGBNUFK-BMHONFFRSA-N
Mol Weight 299.37 g/mol
Molecular Formula C21H17NO
Exact Mass 299.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2ZhLZUsA2k
Name 10-(2-Phenylethynyl)-1-azatetracyclo[7.3.1.0(3,8).1(11,13)]tetradeca-3(8),9,11-trien-12-one
Alternate Name(s) 14-(phenylethynyl)-9-azatetracyclo[9.2.1.0(2,7).0(9,13)]tetradeca-2,4,6-trien-10-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NO
InChI InChI=1S/C21H17NO/c23-21-18-12-19-20(16-9-5-4-8-15(16)13-22(19)21)17(18)11-10-14-6-2-1-3-7-14/h1-9,17-20H,12-13H2/t17-,18+,19-,20?/m1/s1
InChIKey ZXHQCYZPGBNUFK-BMHONFFRSA-N
Molecular Weight 299.373 g/mol
SMILES C1(N2[C@@]3(C[C@]1([C@](C3c1c(C2)cccc1)(C#Cc1ccccc1)[H])[H])[H])=O
SPLASH splash10-00dj-0390000000-f9fa4c49830ccfcf935a
Source of Spectrum F-56-7534-13
Wiley ID 858545