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2-[benzoyloxy]-5-[(4-ethoxycarbonyl)phenylazo]-1,6-methano[10]annulene
SpectraBase Compound ID ChvbQmCAs5k
InChI InChI=1S/C27H22N2O4/c1-2-32-26(30)20-12-14-23(15-13-20)28-29-24-16-17-25(22-11-7-6-10-21(24)18-22)33-27(31)19-8-4-3-5-9-19/h3-17H,2,18H2,1H3/b29-28+
InChIKey FLPDOQAHSYLOLH-ZQHSETAFSA-N
Mol Weight 438.48 g/mol
Molecular Formula C27H22N2O4
Exact Mass 438.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ksXAifgP9C
Name 2-[benzoyloxy]-5-[(4-ethoxycarbonyl)phenylazo]-1,6-methano[10]annulene
CAS Registry Number 129216-85-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22N2O4
InChI InChI=1S/C27H22N2O4/c1-2-32-26(30)20-12-14-23(15-13-20)28-29-24-16-17-25(22-11-7-6-10-21(24)18-22)33-27(31)19-8-4-3-5-9-19/h3-17H,2,18H2,1H3/b29-28+
InChIKey FLPDOQAHSYLOLH-ZQHSETAFSA-N
Molecular Weight 438.483 g/mol
SMILES C=1(C=2CC(=CC=CC2)C(=CC1)\N=N\c1ccc(C(=O)OCC)cc1)OC(=O)c1ccccc1
SPLASH splash10-0a4i-1900000000-a70d1d2ac42e8ff48b93
Source of Spectrum K-124-540-4
Synonyms Ethyl 4-{(E)-[5-(benzoyloxy)bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-yl]diazenyl}benzoate
Wiley ID 1384252