SpectraBase Compound ID | L94RgQ4GlLJ |
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InChI | InChI=1S/C10H16O/c1-4-5-8-6-10(2,3)7-9(8)11/h4-5,8H,6-7H2,1-3H3/b5-4- |
InChIKey | VHWGQZRYEOYXGD-PLNGDYQASA-N |
Mol Weight | 152.24 g/mol |
Molecular Formula | C10H16O |
Exact Mass | 152.120115 g/mol |
SpectraBase Spectrum ID | JpdHGiLd1R7 |
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Name | 4,4-Dimethyl-2-[(Z)-prop-1-enyl]-1-cyclopentanone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 152.120115134 u |
Formula | C10H16O |
InChI | InChI=1S/C10H16O/c1-4-5-8-6-10(2,3)7-9(8)11/h4-5,8H,6-7H2,1-3H3/b5-4- |
InChIKey | VHWGQZRYEOYXGD-PLNGDYQASA-N |
Molecular Weight | 152.237 g/mol |
SMILES | C1(C(CC(C1)(C)C)\C=C/C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988293 |