SpectraBase Compound ID | z5JOofSaBB |
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InChI | InChI=1S/C7H8O/c1-5-4-6-2-3-7(5)8-6/h2-3,6-7H,1,4H2/t6-,7+/m1/s1 |
InChIKey | MBLKBLFLDFBSET-RQJHMYQMSA-N |
Mol Weight | 108.14 g/mol |
Molecular Formula | C7H8O |
Exact Mass | 108.057515 g/mol |
SpectraBase Spectrum ID | HqRTgIsOzz3 |
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Name | |
Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C7H6D2O |
InChI | InChI=1S/C7H8O/c1-5-4-6-2-3-7(5)8-6/h2-3,6-7H,1,4H2/t6-,7+/m1/s1 |
InChIKey | MBLKBLFLDFBSET-RQJHMYQMSA-N |
Molecular Weight | 108.0573 |
SMILES | C1=C[C@@]2(CC(=C)[C@]1(O2)[H])[H] |
SPLASH | splash10-00lr-9000000000-0dac45e5ef8aea255def |
Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |