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Ethyl 4-phthalimido-1,6-methano[10]annulene-3-carboxylate
SpectraBase Compound ID DIhHG847Bez
InChI InChI=1S/C22H17NO4/c1-2-27-22(26)18-12-14-7-3-4-8-15(11-14)13-19(18)23-20(24)16-9-5-6-10-17(16)21(23)25/h3-10,12-13H,2,11H2,1H3
InChIKey NCJHVVQQVPVWAJ-UHFFFAOYSA-N
Mol Weight 359.38 g/mol
Molecular Formula C22H17NO4
Exact Mass 359.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7x1EQ7ZOCRZ
Name Ethyl 4-phthalimido-1,6-methano[10]annulene-3-carboxylate
Alternate Name(s) Ethyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-3-carboxylate
CAS Registry Number 142797-79-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17NO4
InChI InChI=1S/C22H17NO4/c1-2-27-22(26)18-12-14-7-3-4-8-15(11-14)13-19(18)23-20(24)16-9-5-6-10-17(16)21(23)25/h3-10,12-13H,2,11H2,1H3
InChIKey NCJHVVQQVPVWAJ-UHFFFAOYSA-N
Molecular Weight 359.381 g/mol
SMILES C=1(N2C(c3ccccc3C2=O)=O)C(=CC2=CC=CC=C(C1)C2)C(=O)OCC
SPLASH splash10-000i-0097000000-cfc988a4338d90dd4a61
Source of Spectrum K-125-2231-24
Wiley ID 1347849