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Oxetane, 3-(chloromethyl)-3-methyl-2-phenyl-, cis-

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

Oxetane, 3-(chloromethyl)-3-methyl-2-phenyl-, cis-
SpectraBase Compound ID GoOXW1j8faT
InChI InChI=1S/C11H13ClO/c1-11(7-12)8-13-10(11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-,11+/m1/s1
InChIKey HPCSQNUICTYSDP-MNOVXSKESA-N
Mol Weight 196.68 g/mol
Molecular Formula C11H13ClO
Exact Mass 196.065493 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AwM5VIkMqd
Name Oxetane, 3-(chloromethyl)-3-methyl-2-phenyl-, cis-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.065492738 u
Formula C11H13ClO
InChI InChI=1S/C11H13ClO/c1-11(7-12)8-13-10(11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-,11+/m1/s1
InChIKey HPCSQNUICTYSDP-MNOVXSKESA-N
Molecular Weight 196.677 g/mol
SMILES [C@@]1([C@@](C2=CC=CC=C2)(OC1)[H])(CCl)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.813774