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(2E,6E,10E)-3,7,11-trimethyldodeca-2,6,10-trien-12-olide
SpectraBase Compound ID 51Gaxkxzdme
InChI InChI=1S/C15H22O2/c1-12-6-4-8-13(2)10-15(16)17-11-14(3)9-5-7-12/h6,9-10H,4-5,7-8,11H2,1-3H3/b12-6+,13-10+,14-9+
InChIKey NMEKMYDKPCWTTQ-QLOZGWRYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQZGO0tyWDC
Name (2E,6E,10E)-3,7,11-trimethyldodeca-2,6,10-trien-12-olide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-12-6-4-8-13(2)10-15(16)17-11-14(3)9-5-7-12/h6,9-10H,4-5,7-8,11H2,1-3H3/b12-6+,13-10+,14-9+
InChIKey NMEKMYDKPCWTTQ-QLOZGWRYSA-N
Instrument Name Agilent quadrupole
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00366
Molecular Weight 234.339 g/mol
SMILES C1\C=C\(CC\C=C\(COC(\C=C\(C1)C)=O)C)C
SPLASH splash10-001i-9500000000-cf3fa7840c6e22f133e5
Source of Spectrum G4-80-2580-Figure 10C
Synonyms Niaviolide
Wiley ID 1872294