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Methyl 1(R,S),2-epoxy-4(S)-isopropylcyclohex-1-yl]acetate

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

Methyl 1(R,S),2-epoxy-4(S)-isopropylcyclohex-1-yl]acetate
SpectraBase Compound ID F7ROrlsJ2aw
InChI InChI=1S/C12H20O3/c1-8(2)9-4-5-12(7-11(13)14-3)10(6-9)15-12/h8-10H,4-7H2,1-3H3/t9-,10-,12-/m0/s1
InChIKey BACJMMAEPKSTAI-NHCYSSNCSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9IHBIb7Yqzp
Name Methyl 1(R,S),2-epoxy-4(S)-isopropylcyclohex-1-yl]acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.141244501 u
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-8(2)9-4-5-12(7-11(13)14-3)10(6-9)15-12/h8-10H,4-7H2,1-3H3/t9-,10-,12-/m0/s1
InChIKey BACJMMAEPKSTAI-NHCYSSNCSA-N
Molecular Weight 212.289 g/mol
SMILES [C@]12(O[C@]2(C[C@](CC1)(C(C)C)[H])[H])CC(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963602