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4-Chloro-2-(2-phenylethyl)-2,3,4,5,6,7-hexahydrooxepin (2a)
SpectraBase Compound ID HHu9TwP9CWQ
InChI InChI=1S/C14H19ClO/c15-13-7-4-10-16-14(11-13)9-8-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2/t13?,14-/m1/s1
InChIKey WVWZIMMRQCNASS-ARLHGKGLSA-N
Mol Weight 238.76 g/mol
Molecular Formula C14H19ClO
Exact Mass 238.112443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMgfDqjUlSv
Name 4-Chloro-2-(2-phenylethyl)-2,3,4,5,6,7-hexahydrooxepin (2a)
Alternate Name(s) (2R)-4-chloro-2-(2-phenylethyl)oxepane
CAS Registry Number 123185-97-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19ClO
InChI InChI=1S/C14H19ClO/c15-13-7-4-10-16-14(11-13)9-8-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2/t13?,14-/m1/s1
InChIKey WVWZIMMRQCNASS-ARLHGKGLSA-N
Molecular Weight 238.758 g/mol
SMILES [C@]1(OCCCC(C1)Cl)(CCc1ccccc1)[H]
SPLASH splash10-0f6x-7910000000-c507a5e5de49245a02f5
Source of Spectrum J-54-5702-2
Wiley ID 1240709