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3-(4-Chlorophenyl)-7a-methyl-7,7a-dihydrobenzo[d]oxazol-2(3H)-one
SpectraBase Compound ID C9luZZ5wIKp
InChI InChI=1S/C14H12ClNO2/c1-14-9-3-2-4-12(14)16(13(17)18-14)11-7-5-10(15)6-8-11/h2-8H,9H2,1H3
InChIKey IKBSDWUIDRKTJK-UHFFFAOYSA-N
Mol Weight 261.71 g/mol
Molecular Formula C14H12ClNO2
Exact Mass 261.055656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BxTOofKEqK
Name 3-(4-Chlorophenyl)-7a-methyl-7,7a-dihydrobenzo[d]oxazol-2(3H)-one
Appearance Pale-yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.055656328 u
Formula C14H12ClNO2
InChI InChI=1S/C14H12ClNO2/c1-14-9-3-2-4-12(14)16(13(17)18-14)11-7-5-10(15)6-8-11/h2-8H,9H2,1H3
InChIKey IKBSDWUIDRKTJK-UHFFFAOYSA-N
Instrument Name Thermo Polaris Q-Trace GC Ultra or Hewlett-Packard 5971A
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200364
Molecular Weight 261.708 g/mol
Quality 151
Reported Formula C14H12ClNO2
SMILES CC12C(N(C(O2)=O)C2=CC=C(C=C2)Cl)=CC=CC1
SPLASH splash10-0159-0960000000-afe3de072463004043bd
Source of Spectrum K1-2022-SM10-19g (DOI: 10.1002/ejoc.202200364)
Thin-Layer Chromatography 0.69 (hexane/EtOAc, 7:3)
Wiley ID 1898667