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(2R)-2-[(2S)-2,6-dimethylhept-5-enyl]oxirane

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(2R)-2-[(2S)-2,6-dimethylhept-5-enyl]oxirane
SpectraBase Compound ID BALg7hgjv53
InChI InChI=1S/C11H20O/c1-9(2)5-4-6-10(3)7-11-8-12-11/h5,10-11H,4,6-8H2,1-3H3/t10-,11+/m0/s1
InChIKey BXHTXFZIEPAUHF-WDEREUQCSA-N
Mol Weight 168.28 g/mol
Molecular Formula C11H20O
Exact Mass 168.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ApFKB1v4UZX
Name (2R)-2-[(2S)-2,6-Dimethylhept-5-enyl]oxirane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 168.151415263 u
Formula C11H20O
InChI InChI=1S/C11H20O/c1-9(2)5-4-6-10(3)7-11-8-12-11/h5,10-11H,4,6-8H2,1-3H3/t10-,11+/m0/s1
InChIKey BXHTXFZIEPAUHF-WDEREUQCSA-N
Molecular Weight 168.280 g/mol
SMILES [C@]1(OC1)(C[C@](CCC=C(C)C)(C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892501