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3-(4-Chlorophenyl)-6-formyl-7a-methyl-7,7a-dihydrobenzo[d]oxazol-2(3H)-one
SpectraBase Compound ID 2DQQTYEd5ZK
InChI InChI=1S/C15H12ClNO3/c1-15-8-10(9-18)2-7-13(15)17(14(19)20-15)12-5-3-11(16)4-6-12/h2-7,9H,8H2,1H3
InChIKey YRLDHPYBBUTQEZ-UHFFFAOYSA-N
Mol Weight 289.72 g/mol
Molecular Formula C15H12ClNO3
Exact Mass 289.050571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAkfmhE3Lxs
Name 3-(4-Chlorophenyl)-6-formyl-7a-methyl-7,7a-dihydrobenzo[d]oxazol-2(3H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.050570947 u
Formula C15H12ClNO3
InChI InChI=1S/C15H12ClNO3/c1-15-8-10(9-18)2-7-13(15)17(14(19)20-15)12-5-3-11(16)4-6-12/h2-7,9H,8H2,1H3
InChIKey YRLDHPYBBUTQEZ-UHFFFAOYSA-N
Instrument Name Thermo Polaris Q-Trace GC Ultra or Hewlett-Packard 5971A
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200364
Quality 160
SMILES C(=O)C=1CC2(C(N(C(O2)=O)C2=CC=C(C=C2)Cl)=CC1)C
SPLASH splash10-00lr-0960000000-593fff1e150ba2e77249
Source of Spectrum K1-2022-SM20-22g (DOI: 10.1002/ejoc.202200364)
Thin-Layer Chromatography 0.34 (hexane/EtOAc, 7:3)
Wiley ID 1898672