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9H-Xanthene, 9-(2,4,6-cycloheptatrien-1-yl)-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

9H-Xanthene, 9-(2,4,6-cycloheptatrien-1-yl)-
SpectraBase Compound ID FNB2nzybyrz
InChI InChI=1S/C20H16O/c1-2-4-10-15(9-3-1)20-16-11-5-7-13-18(16)21-19-14-8-6-12-17(19)20/h1-15,20H
InChIKey RSSSXQJGTWBZKT-UHFFFAOYSA-N
Mol Weight 272.35 g/mol
Molecular Formula C20H16O
Exact Mass 272.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALYhW9vADUT
Name 9H-Xanthene, 9-(2,4,6-cycloheptatrien-1-yl)-
CAS Registry Number 127999-94-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O
InChI InChI=1S/C20H16O/c1-2-4-10-15(9-3-1)20-16-11-5-7-13-18(16)21-19-14-8-6-12-17(19)20/h1-15,20H
InChIKey RSSSXQJGTWBZKT-UHFFFAOYSA-N
Molecular Weight 272.347 g/mol
SMILES c12Oc3c(C(c2cccc1)C1C=CC=CC=C1)cccc3
SPLASH splash10-001i-2900000000-3493297e23ce3b208000
Source of Spectrum J-55-4332-8
Synonyms 9-(2,4,6-cycloheptatrien-1-yl)-9H-xanthene 9-(2,4,6-Cycloheptatrienyl)]-9H-xanthene
Wiley ID 1276772