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(E)-2-(1a,9b-dihydrophenanthro[9,10-b]azirin-1-yl)-2-butenedioic acid diethyl ester
SpectraBase Compound ID Lof7aJZuWr9
InChI InChI=1S/C22H21NO4/c1-3-26-19(24)13-18(22(25)27-4-2)23-20-16-11-7-5-9-14(16)15-10-6-8-12-17(15)21(20)23/h5-13,20-21H,3-4H2,1-2H3/b18-13+
InChIKey IAEZRJSZTHLUIT-QGOAFFKASA-N
Mol Weight 363.41 g/mol
Molecular Formula C22H21NO4
Exact Mass 363.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HccUBz5QgH3
Name (E)-2-(1a,9b-dihydrophenanthro[9,10-b]azirin-1-yl)-2-butenedioic acid diethyl ester
CAS Registry Number 117608-99-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO4
InChI InChI=1S/C22H21NO4/c1-3-26-19(24)13-18(22(25)27-4-2)23-20-16-11-7-5-9-14(16)15-10-6-8-12-17(15)21(20)23/h5-13,20-21H,3-4H2,1-2H3/b18-13+
InChIKey IAEZRJSZTHLUIT-QGOAFFKASA-N
Molecular Weight 363.413 g/mol
SMILES C12N(C1c1c(-c3c2cccc3)cccc1)\C(=C\C(=O)OCC)C(=O)OCC
SPLASH splash10-00ou-0893000000-e4b0c853a450d2273964
Source of Spectrum Y-24-1585-10
Synonyms (E)-2-(1a,9b-dihydrophenanthr[9,10-b]azirin-1-yl)but-2-enedioic acid diethyl ester Diethyl (E)-2-(1a,9b-dihydrophenanthro[9,10-b]azirin-1-yl)but-2-enedioate
Wiley ID 1350316