| SpectraBase Compound ID | GBRt7Ip6Fdx |
|---|---|
| InChI | InChI=1S/C12H21NO3/c1-5-12(8-13,9-14)7-6-10(15)16-11(2,3)4/h14H,5-7,9H2,1-4H3 |
| InChIKey | JDSHJSPHRKCXPP-UHFFFAOYSA-N |
| Mol Weight | 227.3 g/mol |
| Molecular Formula | C12H21NO3 |
| Exact Mass | 227.152144 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CUgM700oui1 |
|---|---|
| Name | Tert-Butyl 4-Cyano-4-(hydroxymethyl)hexanoate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H21NO3 |
| InChI | InChI=1S/C12H21NO3/c1-5-12(8-13,9-14)7-6-10(15)16-11(2,3)4/h14H,5-7,9H2,1-4H3 |
| InChIKey | JDSHJSPHRKCXPP-UHFFFAOYSA-N |
| Molecular Weight | 227.304 g/mol |
| SMILES | OCC(CCC(=O)OC(C)(C)C)(CC)C#N |
| SPLASH | splash10-0pb9-9500000000-5a964eafa54af138b4d9 |
| Source of Spectrum | F4-46-1508-4 |
| Wiley ID | 1741963 |