| SpectraBase Compound ID | KYJp23v2VkI |
|---|---|
| InChI | InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3/i4D2 |
| InChIKey | PGMYKACGEOXYJE-APZFVMQVSA-N |
| Mol Weight | 132.2 g/mol |
| Molecular Formula | C7H12D2O2 |
| Exact Mass | 132.111933 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KGcr2qzJdSb |
|---|---|
| Name | 1-Pentyl-3,3-D2 acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12D2O2 |
| InChI | InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3/i4D2 |
| InChIKey | PGMYKACGEOXYJE-APZFVMQVSA-N |
| Molecular Weight | 132.199 g/mol |
| SMILES | C(=O)(OCCC(CC)([D])[D])C |
| SPLASH | splash10-006x-9000000000-392cc01046caa60bd4db |
| Source of Spectrum | C-86-2377-1 |
| Wiley ID | 1132799 |