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2-[4-(ethoxycarbonyl)phenylazo]-5-[4-nitrobenzoyloxy]-1,6-methano[10]annulene
SpectraBase Compound ID 2xHQOcP9V8y
InChI InChI=1S/C27H21N3O6/c1-2-35-26(31)18-7-11-22(12-8-18)28-29-24-15-16-25(21-6-4-3-5-20(24)17-21)36-27(32)19-9-13-23(14-10-19)30(33)34/h3-16H,2,17H2,1H3/b29-28+
InChIKey LOJFJDKHIUINJN-ZQHSETAFSA-N
Mol Weight 483.48 g/mol
Molecular Formula C27H21N3O6
Exact Mass 483.143035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7N0atAOxGK2
Name 2-[4-(ethoxycarbonyl)phenylazo]-5-[4-nitrobenzoyloxy]-1,6-methano[10]annulene
CAS Registry Number 129239-36-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21N3O6
InChI InChI=1S/C27H21N3O6/c1-2-35-26(31)18-7-11-22(12-8-18)28-29-24-15-16-25(21-6-4-3-5-20(24)17-21)36-27(32)19-9-13-23(14-10-19)30(33)34/h3-16H,2,17H2,1H3/b29-28+
InChIKey LOJFJDKHIUINJN-ZQHSETAFSA-N
Molecular Weight 483.480 g/mol
SMILES c1(N(=O)=O)ccc(C(OC=2C=3CC(=CC=CC3)C(=CC2)\N=N\c2ccc(C(=O)OCC)cc2)=O)cc1
SPLASH splash10-0ue9-0905100000-3ebab0285bf449fcf87d
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-nitrobenzoate
Wiley ID 1395836