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1-Methyl-4-oxiranyl-trans-decahydroquinol-4-ol
SpectraBase Compound ID EPoCGZyxBxc
InChI InChI=1S/C12H21NO2/c1-13-7-6-12(14,11-8-15-11)9-4-2-3-5-10(9)13/h9-11,14H,2-8H2,1H3
InChIKey APKJETSTVWWRJF-UHFFFAOYSA-N
Mol Weight 211.3 g/mol
Molecular Formula C12H21NO2
Exact Mass 211.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4wtfXBzrWa0
Name 1-Methyl-4-oxiranyl-trans-decahydroquinol-4-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 211.157228918 u
Formula C12H21NO2
InChI InChI=1S/C12H21NO2/c1-13-7-6-12(14,11-8-15-11)9-4-2-3-5-10(9)13/h9-11,14H,2-8H2,1H3
InChIKey APKJETSTVWWRJF-UHFFFAOYSA-N
Molecular Weight 211.305 g/mol
SMILES C1(O)(C2CO2)CCN(C)C2C1CCCC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876935