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(-)-trans-MYRTANYLACETATE

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(-)-trans-MYRTANYLACETATE
SpectraBase Compound ID K9E7c4bqqdv
InChI InChI=1S/C9H16O2.C3H8/c1-8(10)11-7-9-5-3-2-4-6-9;1-3-2/h9H,2-7H2,1H3;3H2,1-2H3
InChIKey PMFVZFLHWVPNAQ-UHFFFAOYSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J1oGiRvSWTW
Name (-)-trans-myrtanylacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.177630011 u
Formula C12H24O2
InChI InChI=1S/C9H16O2.C3H8/c1-8(10)11-7-9-5-3-2-4-6-9;1-3-2/h9H,2-7H2,1H3;3H2,1-2H3
InChIKey PMFVZFLHWVPNAQ-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
Nominal Mass 200 u
SMILES C(C)C.C1(CCCCC1)COC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.808523