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17-Azapentacyclo[6.6.5.0(2.7).0(9.14).0(15.19)]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione, 17-(2-ethoxyphenyl)-
SpectraBase Compound ID Gup2VDPXlJi
InChI InChI=1S/C26H21NO3/c1-2-30-20-14-8-7-13-19(20)27-25(28)23-21-15-9-3-4-10-16(15)22(24(23)26(27)29)18-12-6-5-11-17(18)21/h3-14,21-24H,2H2,1H3/t21-,22+,23?,24?
InChIKey KJBNPYAFZMJTNJ-KFGJODCASA-N
Mol Weight 395.46 g/mol
Molecular Formula C26H21NO3
Exact Mass 395.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZA4a9PwJiO
Name 17-Azapentacyclo[6.6.5.0(2.7).0(9.14).0(15.19)]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione, 17-(2-ethoxyphenyl)-
CAS Registry Number 313494-67-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21NO3
InChI InChI=1S/C26H21NO3/c1-2-30-20-14-8-7-13-19(20)27-25(28)23-21-15-9-3-4-10-16(15)22(24(23)26(27)29)18-12-6-5-11-17(18)21/h3-14,21-24H,2H2,1H3/t21-,22+,23?,24?
InChIKey KJBNPYAFZMJTNJ-KFGJODCASA-N
Molecular Weight 395.458 g/mol
SMILES c1cc(c(N2C(C3[C@]4(c5ccccc5[C@@](C3C2=O)(c2ccccc42)[H])[H])=O)cc1)OCC
SPLASH splash10-004i-0900000000-351b63e474d1414aaad9
Source of Spectrum AD-0-2532-0
Wiley ID 1421526