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2H-Benzo[b]cyclobuta[d]pyran-2a(3H)-carboxylic acid, 1,8b-dihydro-3-oxo-1-(4-pyridinyl)-, methyl ester
SpectraBase Compound ID 5A5D0hqqHS2
InChI InChI=1S/C18H15NO4/c1-22-16(20)18-10-13(11-6-8-19-9-7-11)15(18)12-4-2-3-5-14(12)23-17(18)21/h2-9,13,15H,10H2,1H3
InChIKey YOVZNYBTAAUGPB-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 B1y4uszOXg0
Name 2H-Benzo[b]cyclobuta[d]pyran-2a(3H)-carboxylic acid, 1,8b-dihydro-3-oxo-1-(4-pyridinyl)-, methyl ester
CAS Registry Number 59743-99-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15NO4
InChI InChI=1S/C18H15NO4/c1-22-16(20)18-10-13(11-6-8-19-9-7-11)15(18)12-4-2-3-5-14(12)23-17(18)21/h2-9,13,15H,10H2,1H3
InChIKey YOVZNYBTAAUGPB-UHFFFAOYSA-N
Molecular Weight 309.321 g/mol
SMILES C12(C(Oc3c(C2C(C1)c1ccncc1)cccc3)=O)C(=O)OC
SPLASH splash10-0uk9-0980000000-50364118ea40e19b37b7
Source of Spectrum H-59-838-7
Synonyms 2a-methoxycarbonyl-1-(pyrid-4-yl)-1,2,2a,8b-tetrahydro-cyclobuta(c)cumarin Methyl 3-oxo-1-(4-pyridinyl)-1,8b-dihydro-2H-cyclobuta[c]chromene-2a(3H)-carboxylate
Wiley ID 1310684