SpectraBase Compound ID | CA5YrqcM0Op |
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InChI | InChI=1S/C10H21NO2/c1-8(2)5-4-6-10(3,13)9(11)7-12/h5,9,12-13H,4,6-7,11H2,1-3H3 |
InChIKey | MYZAIZLYFVZBRQ-UHFFFAOYSA-N |
Mol Weight | 187.28 g/mol |
Molecular Formula | C10H21NO2 |
Exact Mass | 187.157229 g/mol |
SpectraBase Spectrum ID | 2pZ7df1lSv2 |
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Name | 2-Amino-3,7-dimethyl-6-octene-1,3-diol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 187.157228918 u |
Formula | C10H21NO2 |
InChI | InChI=1S/C10H21NO2/c1-8(2)5-4-6-10(3,13)9(11)7-12/h5,9,12-13H,4,6-7,11H2,1-3H3 |
InChIKey | MYZAIZLYFVZBRQ-UHFFFAOYSA-N |
Molecular Weight | 187.283 g/mol |
SMILES | C(C(C(CCC=C(C)C)(O)C)N)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889783 |