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 |