| SpectraBase Compound ID | KQJ8qjyMSAF |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-8(7(10)11-2)4-3-6(9)5-8/h3-5H2,1-2H3 |
| InChIKey | RXEOOQFWZVQHTR-UHFFFAOYSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8xn0av2MC28 |
|---|---|
| Name | CYCLOPENTANECARBOXYLIC-2,2,4,4-D4 ACID, 1-METHYL-3-OXO-, METHYL ESTER |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H8O3D4 |
| InChI | InChI=1S/C8H12O3/c1-8(7(10)11-2)4-3-6(9)5-8/h3-5H2,1-2H3 |
| InChIKey | RXEOOQFWZVQHTR-UHFFFAOYSA-N |
| Molecular Weight | 156.0783 |
| SMILES | C1(C(OC)=O)(C)CC(=O)CC1 |
| SPLASH | splash10-0uk9-9500000000-665de500a39341c1c631 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |