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2-[4-chlorobenzoyloxy]-5-[(4-ethoxycarbonyl)phenylazo]-1,6-methano[10]annulene
SpectraBase Compound ID 3rQf0iZenmi
InChI InChI=1S/C27H21ClN2O4/c1-2-33-26(31)18-9-13-23(14-10-18)29-30-24-15-16-25(21-6-4-3-5-20(24)17-21)34-27(32)19-7-11-22(28)12-8-19/h3-16H,2,17H2,1H3/b30-29+
InChIKey NNSMOYYCJUUYCX-QVIHXGFCSA-N
Mol Weight 472.93 g/mol
Molecular Formula C27H21ClN2O4
Exact Mass 472.118985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91XiHQN8BHi
Name 2-[4-chlorobenzoyloxy]-5-[(4-ethoxycarbonyl)phenylazo]-1,6-methano[10]annulene
CAS Registry Number 129216-86-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21ClN2O4
InChI InChI=1S/C27H21ClN2O4/c1-2-33-26(31)18-9-13-23(14-10-18)29-30-24-15-16-25(21-6-4-3-5-20(24)17-21)34-27(32)19-7-11-22(28)12-8-19/h3-16H,2,17H2,1H3/b30-29+
InChIKey NNSMOYYCJUUYCX-QVIHXGFCSA-N
Molecular Weight 472.928 g/mol
SMILES C=1(C=2CC(=CC=CC2)C(=CC1)\N=N\c1ccc(C(=O)OCC)cc1)OC(c1ccc(cc1)Cl)=O
SPLASH splash10-000i-0900000000-d21034fed4873fe7c7fd
Source of Spectrum K-124-540-4
Synonyms 5-{(E)-2-[4-(ethoxycarbonyl)phenyl]diazenyl}bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-2-yl 4-chlorobenzoate
Wiley ID 1393389