SpectraBase Compound ID | ITv9dKRNe1S |
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InChI | InChI=1S/C11H16O3/c1-8-6-11(13-4-5-14-11)7-10(2,3)9(8)12/h6H,4-5,7H2,1-3H3 |
InChIKey | VXEVZBLWVNIBAN-UHFFFAOYSA-N |
Mol Weight | 196.25 g/mol |
Molecular Formula | C11H16O3 |
Exact Mass | 196.109944 g/mol |
SpectraBase Spectrum ID | 15HhfvNvcj6 |
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Name | 7,7,9-Trimethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 196.109944372 u |
Formula | C11H16O3 |
InChI | InChI=1S/C11H16O3/c1-8-6-11(13-4-5-14-11)7-10(2,3)9(8)12/h6H,4-5,7H2,1-3H3 |
InChIKey | VXEVZBLWVNIBAN-UHFFFAOYSA-N |
Molecular Weight | 196.246 g/mol |
SMILES | C1(=O)C(C)=CC2(CC1(C)C)OCCO2 |
Spectrum/Structure Validation Score (Raman) | 0.992654 |