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N-Benzoyl-2-azatetracyclo[9,4.0.0(3,10).0(4,9)]pentadeca-1(11),12,14-triene
SpectraBase Compound ID tEbTCUBd2z
InChI InChI=1S/C21H21NO/c23-21(14-8-2-1-3-9-14)22-18-13-7-6-12-17(18)19-15-10-4-5-11-16(15)20(19)22/h1-3,6-9,12-13,15-16,19-20H,4-5,10-11H2
InChIKey IZERLMNBBHDWJH-UHFFFAOYSA-N
Mol Weight 303.41 g/mol
Molecular Formula C21H21NO
Exact Mass 303.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wRSUN73PKN
Name N-Benzoyl-2-azatetracyclo[9,4.0.0(3,10).0(4,9)]pentadeca-1(11),12,14-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO
InChI InChI=1S/C21H21NO/c23-21(14-8-2-1-3-9-14)22-18-13-7-6-12-17(18)19-15-10-4-5-11-16(15)20(19)22/h1-3,6-9,12-13,15-16,19-20H,4-5,10-11H2
InChIKey IZERLMNBBHDWJH-UHFFFAOYSA-N
Molecular Weight 303.405 g/mol
SMILES C12N(c3c(C2C2C1CCCC2)cccc3)C(=O)c1ccccc1
SPLASH splash10-0a4i-0920000000-c00ec26edbc3a92b2690
Source of Spectrum I-69-1179-18
Synonyms 5-Benzoyl-2,3,4,4a,4b,5,9b,9c-octahydro-1H-benzo[3,4]cyclobuta[1,2-b]indole
Wiley ID 1305854