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2-Methylundeca-2,4-dien-6-one
SpectraBase Compound ID 9NY9dwkyGrp
InChI InChI=1S/C12H20O/c1-4-5-6-9-12(13)10-7-8-11(2)3/h7-8,10H,4-6,9H2,1-3H3/b10-7+
InChIKey YRBBDMWUBLQTHN-JXMROGBWSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9hBM2MuCJRN
Name 2-Methylundeca-2,4-dien-6-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.151415263 u
Formula C12H20O
InChI InChI=1S/C12H20O/c1-4-5-6-9-12(13)10-7-8-11(2)3/h7-8,10H,4-6,9H2,1-3H3/b10-7+
InChIKey YRBBDMWUBLQTHN-JXMROGBWSA-N
Molecular Weight 180.291 g/mol
SMILES C(\C=C\C(=O)CCCCC)=C(C)C