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2-Propenoic acid, 2-cyano-3-tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaen-5-yl-, ethyl ester
SpectraBase Compound ID J3wrZXKM4Oq
InChI InChI=1S/C22H21NO2/c1-2-25-22(24)21(15-23)14-20-13-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18/h3-6,10,12-14H,2,7-9,11H2,1H3/b21-14+
InChIKey DHRSEGVMWPGLDQ-KGENOOAVSA-N
Mol Weight 331.42 g/mol
Molecular Formula C22H21NO2
Exact Mass 331.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfdsntkYflj
Name 2-Propenoic acid, 2-cyano-3-tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaen-5-yl-, ethyl ester
Alternate Name(s) Tricyclo[8.2.2.24,7]hexadecane, 2-propenoic acid deriv. .alpha.[2-Cyano-2-ethoxycarbonylvinyl](2,2)paracyclophane 2-Cyano-2-ethoxycarbonyl-(2,2)paracyclophanylethene 2-Cyano-3-(5-[2,2]paracyclophanyl)-2-propenoic acid ethyl ester Ethyl (2E)-2-cyano-3-tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl-2-propenoate
CAS Registry Number 111864-28-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO2
InChI InChI=1S/C22H21NO2/c1-2-25-22(24)21(15-23)14-20-13-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18/h3-6,10,12-14H,2,7-9,11H2,1H3/b21-14+
InChIKey DHRSEGVMWPGLDQ-KGENOOAVSA-N
Molecular Weight 331.415 g/mol
SMILES c1(\C=C\(C(=O)OCC)C#N)c2CCc3ccc(CCc(c1)cc2)cc3
SPLASH splash10-0udi-0913000000-b21b640665efc6a5ce77
Source of Spectrum O-22-694-2
Wiley ID 1328886