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3-Chloro-7-methyl-10,11-diphenyldibenz[b,f]oxepin
SpectraBase Compound ID 724SUY4V4sW
InChI InChI=1S/C27H19ClO/c1-18-12-14-22-24(16-18)29-25-17-21(28)13-15-23(25)27(20-10-6-3-7-11-20)26(22)19-8-4-2-5-9-19/h2-17H,1H3
InChIKey JZIYWOQSCUXKIA-UHFFFAOYSA-N
Mol Weight 394.9 g/mol
Molecular Formula C27H19ClO
Exact Mass 394.112443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45pO0j96CJF
Name 3-Chloro-7-methyl-10,11-diphenyldibenz[b,f]oxepin
CAS Registry Number 134312-27-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H19ClO
InChI InChI=1S/C27H19ClO/c1-18-12-14-22-24(16-18)29-25-17-21(28)13-15-23(25)27(20-10-6-3-7-11-20)26(22)19-8-4-2-5-9-19/h2-17H,1H3
InChIKey JZIYWOQSCUXKIA-UHFFFAOYSA-N
Molecular Weight 394.901 g/mol
SMILES C1(=C(c2c(cc(cc2)C)Oc2c1ccc(Cl)c2)c1ccccc1)c1ccccc1
SPLASH splash10-0007-0009000000-95850ecaf10ffedd3785
Source of Spectrum C-113-6244-6
Synonyms 3-chloro-7-methyl-10,11-diphenyldibenzo[b,f]oxepin
Wiley ID 1366864