SpectraBase Compound ID | 1O4ZGPZLKsu |
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InChI | InChI=1S/C13H14O3/c1-8-2-3-9-4-12-13(5-11(8)9)16-7-10(14)6-15-12/h4-5,8H,2-3,6-7H2,1H3 |
InChIKey | CPMKLLFIQWBDNP-UHFFFAOYSA-N |
Mol Weight | 218.25 g/mol |
Molecular Formula | C13H14O3 |
Exact Mass | 218.094294 g/mol |
SpectraBase Spectrum ID | AkTQmZcXM7S |
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Name | 1-Methyl-2,3-dihydro-1H-5,9-dioxacyclohepta[f]inden-7-onee |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C13H14O3 |
InChI | InChI=1S/C13H14O3/c1-8-2-3-9-4-12-13(5-11(8)9)16-7-10(14)6-15-12/h4-5,8H,2-3,6-7H2,1H3 |
InChIKey | CPMKLLFIQWBDNP-UHFFFAOYSA-N |
Molecular Weight | 218.252 g/mol |
SMILES | c12c(cc3c(c2)OCC(=O)CO3)CCC1C |
SPLASH | splash10-0uxu-4290000000-9bb4034dd4b07cce498e |
Source of Spectrum | K1-2003-3739-7 |
Wiley ID | 1521436 |