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13H-spiro[pentacene-6,9'-xanthen]-13-one
SpectraBase Compound ID Beu49YAq4CK
InChI InChI=1S/C34H20O2/c35-33-25-17-21-9-1-3-11-23(21)19-29(25)34(30-20-24-12-4-2-10-22(24)18-26(30)33)27-13-5-7-15-31(27)36-32-16-8-6-14-28(32)34/h1-20H
InChIKey HNLLONWCGQBWDN-UHFFFAOYSA-N
Mol Weight 460.5 g/mol
Molecular Formula C34H20O2
Exact Mass 460.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DufcSO0w6rk
Name 13H-spiro[pentacene-6,9'-xanthen]-13-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H20O2
InChI InChI=1S/C34H20O2/c35-33-25-17-21-9-1-3-11-23(21)19-29(25)34(30-20-24-12-4-2-10-22(24)18-26(30)33)27-13-5-7-15-31(27)36-32-16-8-6-14-28(32)34/h1-20H
InChIKey HNLLONWCGQBWDN-UHFFFAOYSA-N
Instrument Name Waters GCT Premier
Ionization Type EI
Literature Reference DOI 10.1002/anie.202113190
Molecular Weight 460.532 g/mol
Quality 693
Reported Formula C34H20O2
SMILES C=1C=CC=2C=C3C(C=4C=C5C=CC=CC5=CC4C4(C=5C=CC=CC5OC=5C=CC=CC45)C3=CC2C1)=O
SPLASH splash10-03di-0132900000-21858d4c044c13eab612
Source of Spectrum ACI-61-SM51-14 (DOI: 10.1002/anie.202113190)
Wiley ID 1898002