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4-(p-Methoxyhenyl)tetracyclo[7.6.0.0(8,13).2(2,6)]pentadecapentaene-5-one
SpectraBase Compound ID 1xlnV653QIe
InChI InChI=1S/C22H18O2/c1-24-15-9-6-13(7-10-15)19-12-14-8-11-18(22(19)23)21-17-5-3-2-4-16(17)20(14)21/h2-12,14,18,20-21H,1H3/t14?,18?,20-,21?/m1/s1
InChIKey YRWYSJSXCPLUCF-OYRSXVBQSA-N
Mol Weight 314.38 g/mol
Molecular Formula C22H18O2
Exact Mass 314.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ho0wTpqR5qU
Name 4-(p-Methoxyhenyl)tetracyclo[7.6.0.0(8,13).2(2,6)]pentadecapentaene-5-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18O2
InChI InChI=1S/C22H18O2/c1-24-15-9-6-13(7-10-15)19-12-14-8-11-18(22(19)23)21-17-5-3-2-4-16(17)20(14)21/h2-12,14,18,20-21H,1H3/t14?,18?,20-,21?/m1/s1
InChIKey YRWYSJSXCPLUCF-OYRSXVBQSA-N
Molecular Weight 314.384 g/mol
SMILES C12[C@](C3C=C(C(C2C=C3)=O)c2ccc(cc2)OC)(c2c1cccc2)[H]
SPLASH splash10-01q9-0908000000-834f0ad26cafbf6cbd2c
Source of Spectrum E1-40-2832-4
Wiley ID 1551743