SpectraBase Compound ID | D5Btzozbv03 |
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InChI | InChI=1S/C10H20O2/c1-8(2)5-6-9(7-11)10(3,4)12/h5,9,11-12H,6-7H2,1-4H3 |
InChIKey | QMOAXOFWWFUAKB-UHFFFAOYSA-N |
Mol Weight | 172.27 g/mol |
Molecular Formula | C10H20O2 |
Exact Mass | 172.14633 g/mol |
SpectraBase Spectrum ID | 8hz1Ua5difi |
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Name | 3-Methyl-2-(3-methylbut-2-enyl)butane-1,3-diol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 172.146329882 u |
Formula | C10H20O2 |
InChI | InChI=1S/C10H20O2/c1-8(2)5-6-9(7-11)10(3,4)12/h5,9,11-12H,6-7H2,1-4H3 |
InChIKey | QMOAXOFWWFUAKB-UHFFFAOYSA-N |
Molecular Weight | 172.268 g/mol |
SMILES | C(C(CC=C(C)C)CO)(O)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982415 |