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2H-Benzo[b]cyclobuta[d]pyran-2a(3H)-carboxylic acid, 1,8b-dihydro-3-oxo-1-(2-pyridinyl)-, methyl ester
SpectraBase Compound ID 2HgNKT80ZLf
InChI InChI=1S/C18H15NO4/c1-22-16(20)18-10-12(13-7-4-5-9-19-13)15(18)11-6-2-3-8-14(11)23-17(18)21/h2-9,12,15H,10H2,1H3
InChIKey APWCHALCWJFSPX-UHFFFAOYSA-N
Mol Weight 309.32 g/mol
Molecular Formula C18H15NO4
Exact Mass 309.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kk8C1t56UA
Name 2H-Benzo[b]cyclobuta[d]pyran-2a(3H)-carboxylic acid, 1,8b-dihydro-3-oxo-1-(2-pyridinyl)-, methyl ester
CAS Registry Number 59776-38-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15NO4
InChI InChI=1S/C18H15NO4/c1-22-16(20)18-10-12(13-7-4-5-9-19-13)15(18)11-6-2-3-8-14(11)23-17(18)21/h2-9,12,15H,10H2,1H3
InChIKey APWCHALCWJFSPX-UHFFFAOYSA-N
Molecular Weight 309.321 g/mol
SMILES C12(C(Oc3c(C2C(C1)c1ncccc1)cccc3)=O)C(=O)OC
SPLASH splash10-0zmj-1941000000-9973ff48023d002accdc
Source of Spectrum H-59-838-5
Synonyms 2a-methoxycarbonyl-1-(pyrid-2-yl)-1,2,2a,8b-tetrahydro-cyclobuta(c)cumarin Methyl 3-oxo-1-(2-pyridinyl)-1,8b-dihydro-2H-cyclobuta[c]chromene-2a(3H)-carboxylate
Wiley ID 1310685