| SpectraBase Compound ID | FdE2Gzl6RW7 |
|---|---|
| InChI | InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3/i2D |
| InChIKey | QPJVMBTYPHYUOC-VMNATFBRSA-N |
| Mol Weight | 137.16 g/mol |
| Molecular Formula | C8H7DO2 |
| Exact Mass | 137.058706 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1oIBPGvFXJy |
|---|---|
| Name | Methyl 4-deuteriobenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7DO2 |
| InChI | InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3/i2D |
| InChIKey | QPJVMBTYPHYUOC-VMNATFBRSA-N |
| Molecular Weight | 137.156 g/mol |
| SMILES | C(=O)(c1ccc(cc1)[D])OC |
| SPLASH | splash10-0a6r-3900000000-731f0f5ddcfe0191626b |
| Source of Spectrum | QE-14-3378-D-14-Me |
| Wiley ID | 1691987 |