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Trans-2-acetoxy-p-mentha-1(7),8-diene

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

Trans-2-acetoxy-p-mentha-1(7),8-diene
SpectraBase Compound ID 3eOKFVaDpZM
InChI InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h11-12H,1,3,5-7H2,2,4H3/t11-,12+/m1/s1
InChIKey CCLNPVCMIJDJLR-NEPJUHHUSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DdUuHqgsPPP
Name Trans-2-acetoxy-p-mentha-1(7),8-diene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.130679818 u
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h11-12H,1,3,5-7H2,2,4H3/t11-,12+/m1/s1
InChIKey CCLNPVCMIJDJLR-NEPJUHHUSA-N
Molecular Weight 194.274 g/mol
SMILES C1[C@@](CCC([C@]1(OC(=O)C)[H])=C)(C(=C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93202