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(L)-Menthyl trans-7-oxo-2-octenoate

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

(L)-Menthyl trans-7-oxo-2-octenoate
SpectraBase Compound ID CddED4ZcCGn
InChI InChI=1S/C18H30O3/c1-13(2)16-11-10-14(3)12-17(16)21-18(20)9-7-5-6-8-15(4)19/h7,9,13-14,16-17H,5-6,8,10-12H2,1-4H3/b9-7+/t14-,16+,17-/m1/s1
InChIKey BWJUJARTXIHMRX-FOIGERSBSA-N
Mol Weight 294.44 g/mol
Molecular Formula C18H30O3
Exact Mass 294.219495 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J502kDPfzcJ
Name (L)-Menthyl trans-7-oxo-2-octenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.219494823 u
Formula C18H30O3
InChI InChI=1S/C18H30O3/c1-13(2)16-11-10-14(3)12-17(16)21-18(20)9-7-5-6-8-15(4)19/h7,9,13-14,16-17H,5-6,8,10-12H2,1-4H3/b9-7+/t14-,16+,17-/m1/s1
InChIKey BWJUJARTXIHMRX-FOIGERSBSA-N
SMILES [C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])(OC(\C=C\CCCC(=O)C)=O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877616