SpectraBase Compound ID | EA8Gy9WnG9T |
---|---|
InChI | InChI=1S/C10H16O/c1-7-5-9(11)6-10(3,4)8(7)2/h5,8H,6H2,1-4H3 |
InChIKey | JLZFYMOPHWAASQ-UHFFFAOYSA-N |
Mol Weight | 152.24 g/mol |
Molecular Formula | C10H16O |
Exact Mass | 152.120115 g/mol |
SpectraBase Spectrum ID | CD3B8631pG2 |
---|---|
Name | 3,4,5,5-Tetramethyl-1-cyclohex-2-enone |
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/c1-7-5-9(11)6-10(3,4)8(7)2/h5,8H,6H2,1-4H3 |
InChIKey | JLZFYMOPHWAASQ-UHFFFAOYSA-N |
Molecular Weight | 152.237 g/mol |
SMILES | C1(=CC(=O)CC(C1C)(C)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.82549 |