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SpectraBase Compound ID | FdE2Gzl6RW7 |
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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 |
SpectraBase Spectrum ID | 1oIBPGvFXJy |
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Name | Methyl 4-deuteriobenzoate |
Copyright | Copyright © 2020-2025 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 |