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3-METHYL-4,5,6-TRIPHENYL-9-OXA-BICYCLO-[6.1.0]-NONA-2,4,6-TRIENE
SpectraBase Compound ID 9s015TgcX6Q
InChI InChI=1S/C27H22O/c1-19-17-24-25(28-24)18-23(20-11-5-2-6-12-20)27(22-15-9-4-10-16-22)26(19)21-13-7-3-8-14-21/h2-18,24-25H,1H3/b19-17-,23-18-,27-26+
InChIKey GGCJPYHDVSPTAF-HLJMNXCHSA-N
Mol Weight 362.47 g/mol
Molecular Formula C27H22O
Exact Mass 362.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzS0UuQWS1o
Name 9-Oxabicyclo[6.1.0]nona-2,4,6-triene, 3-methyl-4,5,6-triphenyl-
CAS Registry Number 79491-04-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22O
InChI InChI=1S/C27H22O/c1-19-17-24-25(28-24)18-23(20-11-5-2-6-12-20)27(22-15-9-4-10-16-22)26(19)21-13-7-3-8-14-21/h2-18,24-25H,1H3/b19-17-,23-18-,27-26+
InChIKey GGCJPYHDVSPTAF-HLJMNXCHSA-N
Molecular Weight 362.472 g/mol
SMILES C\C=1\C(=C/(\C(=C/C2C(C/1)O2)c1ccccc1)c1ccccc1)c1ccccc1
SPLASH splash10-03e9-0039000000-b410b14c0c4467f260e4
Source of Spectrum B-34-868-0
Synonyms 3-Methyl-4,5,6-triphenyl-9-oxabicyclo[6.1.0]nona-2,4,6-triene
Wiley ID 1350070