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(E)-5-Isopropyl-6-methyl-5,6-epoxy-hept-3-en-2-one

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(E)-5-Isopropyl-6-methyl-5,6-epoxy-hept-3-en-2-one
SpectraBase Compound ID 21mrcd36vUn
InChI InChI=1S/C11H18O2/c1-8(2)11(7-6-9(3)12)10(4,5)13-11/h6-8H,1-5H3/b7-6+
InChIKey MRIJIRDSXYKSKE-VOTSOKGWSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID APwu6rIABmL
Name (E)-5-Isopropyl-6-methyl-5,6-epoxy-hept-3-en-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.130679818 u
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-8(2)11(7-6-9(3)12)10(4,5)13-11/h6-8H,1-5H3/b7-6+
InChIKey MRIJIRDSXYKSKE-VOTSOKGWSA-N
Molecular Weight 182.263 g/mol
SMILES C1(OC1(C)C)(\C=C\C(=O)C)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811495