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3H-Benzo[b]cyclobuta[d]pyran-3-one, 2a-acetyl-1,2,2a,8b-tetrahydro-1-(2-pyridinyl)-
SpectraBase Compound ID ENz6j0x6WYM
InChI InChI=1S/C18H15NO3/c1-11(20)18-10-13(14-7-4-5-9-19-14)16(18)12-6-2-3-8-15(12)22-17(18)21/h2-9,13,16H,10H2,1H3
InChIKey BKXGTYHCTHBYTJ-UHFFFAOYSA-N
Mol Weight 293.32 g/mol
Molecular Formula C18H15NO3
Exact Mass 293.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43ylWZXTm4
Name 3H-Benzo[b]cyclobuta[d]pyran-3-one, 2a-acetyl-1,2,2a,8b-tetrahydro-1-(2-pyridinyl)-
CAS Registry Number 59743-96-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15NO3
InChI InChI=1S/C18H15NO3/c1-11(20)18-10-13(14-7-4-5-9-19-14)16(18)12-6-2-3-8-15(12)22-17(18)21/h2-9,13,16H,10H2,1H3
InChIKey BKXGTYHCTHBYTJ-UHFFFAOYSA-N
Molecular Weight 293.322 g/mol
SMILES C12(C(Oc3c(C2C(C1)c1ncccc1)cccc3)=O)C(=O)C
SPLASH splash10-0zmi-2960000000-b959f4936d9b96f2aae6
Source of Spectrum H-59-838-4
Synonyms 2a-acetyl-1-(2-pyridinyl)-1,2,2a,8b-tetrahydro-3H-cyclobuta[c]chromen-3-one 2a-acetyl-1-(pyrid-2-yl)-1,2,2a,8b-tetrahydro-cyclobuta(c)cumarin
Wiley ID 1296441