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(S)-(+)-muscolide
SpectraBase Compound ID v0dhrwMvZ9
InChI InChI=1S/C16H30O2/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)18-14-15/h15H,2-14H2,1H3/t15-/m0/s1
InChIKey BXUAFPXADZNGNU-HNNXBMFYSA-N
Mol Weight 254.41 g/mol
Molecular Formula C16H30O2
Exact Mass 254.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ARR0PrIFjTV
Name (S)-(+)-muscolide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.224580204 u
Formula C16H30O2
InChI InChI=1S/C16H30O2/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)18-14-15/h15H,2-14H2,1H3/t15-/m0/s1
InChIKey BXUAFPXADZNGNU-HNNXBMFYSA-N
Molecular Weight 254.414 g/mol
SMILES C1(OC[C@@](C)(CCCCCCCCCCCC1)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961143