| SpectraBase Spectrum ID |
KJdVmtwRzD1 |
| Name |
3-isochromanone, 1TMS |
| Alternate Name(s) |
3-Isochromanone, 1TMS
359351_ALDRICH, 1TMS
EINECS 224-493-9, 1TMS
c0403, 1TMS
NSC160530, 1TMS
ZINC01530894, 1TMS
isochroman-3-one, 1TMS
isochroman-3-one |
| Comments |
Non-derivatized structure shown; Derivatization type: 1 TMS (mass: 220.092); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000690; Note: The molecular formula of the structure shown is C9H8O2 - which differs from the formula reported for the mass spectrum (C12H16O2Si) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O2Si |
| InChI |
InChI=1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2 |
| InChIKey |
ILHLUZUMRJQEAH-UHFFFAOYSA-N |
| Molecular Weight |
148.161 g/mol |
| SMILES |
c1ccc2COC(Cc2c1)=O |
| SPLASH |
splash10-0ul0-1930000000-d08321391fd158c54977 |
| Source of Spectrum |
FM-2019-690-0 |
| Wiley ID |
1818368 |
