| SpectraBase Spectrum ID |
IuMapcBwlmF |
| Name |
2-(1-Oxo-1H-isochromen-3-yl)benzonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H9NO2 |
| InChI |
InChI=1S/C16H9NO2/c17-10-12-6-2-3-7-13(12)15-9-11-5-1-4-8-14(11)16(18)19-15/h1-9H |
| InChIKey |
OXPGTAYRTXQUMK-UHFFFAOYSA-N |
| Instrument Name |
Agilent 5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0011.211 |
| Molecular Weight |
247.253 g/mol |
| Reported Formula |
C13H13NO4 |
| SMILES |
c1cc2c(cc1)C=C(OC2=O)c1c(cccc1)C#N |
| SPLASH |
splash10-0005-2490000000-00631b45e908e5880c65 |
| Source of Spectrum |
ARK-2010-157-10 |
| Wiley ID |
1866856 |
