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(E)-2-(1a,9b-dihydrophenanthro[9,10-b]azirin-1-yl)-2-butenedioic acid dimethyl ester
SpectraBase Compound ID 8qpysrOQ2mG
InChI InChI=1S/C20H17NO4/c1-24-17(22)11-16(20(23)25-2)21-18-14-9-5-3-7-12(14)13-8-4-6-10-15(13)19(18)21/h3-11,18-19H,1-2H3/b16-11+
InChIKey HWMMRTVFGZFODP-LFIBNONCSA-N
Mol Weight 335.36 g/mol
Molecular Formula C20H17NO4
Exact Mass 335.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMZLtmpqnh1
Name (E)-2-(1a,9b-dihydrophenanthro[9,10-b]azirin-1-yl)-2-butenedioic acid dimethyl ester
CAS Registry Number 117608-98-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17NO4
InChI InChI=1S/C20H17NO4/c1-24-17(22)11-16(20(23)25-2)21-18-14-9-5-3-7-12(14)13-8-4-6-10-15(13)19(18)21/h3-11,18-19H,1-2H3/b16-11+
InChIKey HWMMRTVFGZFODP-LFIBNONCSA-N
Molecular Weight 335.359 g/mol
SMILES C12N(C1c1c(-c3c2cccc3)cccc1)\C(=C\C(=O)OC)C(=O)OC
SPLASH splash10-00or-0591000000-a3ca9f21196dbeb4b005
Source of Spectrum Y-24-1585-10
Synonyms (E)-2-(1a,9b-dihydrophenanthr[9,10-b]azirin-1-yl)but-2-enedioic acid dimethyl ester Dimethyl (E)-2-(1a,9b-dihydrophenanthro[9,10-b]azirin-1-yl)but-2-enedioate
Wiley ID 1331759