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3-(4-Chlorophenyl)-2,5-dihydro-1-benzoxepine
SpectraBase Compound ID Cbqx3Zq4q7q
InChI InChI=1S/C16H13ClO/c17-15-9-7-12(8-10-15)14-6-5-13-3-1-2-4-16(13)18-11-14/h1-4,6-10H,5,11H2
InChIKey NWDGOWCGKSXYAN-UHFFFAOYSA-N
Mol Weight 256.73 g/mol
Molecular Formula C16H13ClO
Exact Mass 256.065493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41x3RcuPGJG
Name 3-(4-Chlorophenyl)-2,5-dihydro-1-benzoxepine
Alternate Name(s) 3-(4-Chlorophenyl)-2,5-dihydrobenzo[b]oxepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClO
InChI InChI=1S/C16H13ClO/c17-15-9-7-12(8-10-15)14-6-5-13-3-1-2-4-16(13)18-11-14/h1-4,6-10H,5,11H2
InChIKey NWDGOWCGKSXYAN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200800197
Molecular Weight 256.732 g/mol
SMILES C1Oc2c(CC=C1c1ccc(cc1)Cl)cccc2
SPLASH splash10-05al-1690000000-8a5374ca137e627e8d6e
Source of Spectrum QA-55-1320-5b
Wiley ID 1796523