SpectraBase Compound ID | EWkqyN6YpLO |
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InChI | InChI=1S/C8H16O2/c1-3-4-5-7(9)8(2)6-10-8/h7,9H,3-6H2,1-2H3/t7?,8-/m1/s1 |
InChIKey | RIMXNGQIZMNEJM-BRFYHDHCSA-N |
Mol Weight | 144.21 g/mol |
Molecular Formula | C8H16O2 |
Exact Mass | 144.11503 g/mol |
SpectraBase Spectrum ID | KmJhhkJdUX7 |
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Name | Erythro-1,2-epoxy-2-methyl-3-heptanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 144.115029753 u |
Formula | C8H16O2 |
InChI | InChI=1S/C8H16O2/c1-3-4-5-7(9)8(2)6-10-8/h7,9H,3-6H2,1-2H3/t7?,8-/m1/s1 |
InChIKey | RIMXNGQIZMNEJM-BRFYHDHCSA-N |
Molecular Weight | 144.214 g/mol |
SMILES | [C@@]1(OC1)(C(O)CCCC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965992 |