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3,20-13C2-E,E.E-geranylgeranoic acid

View entire compound with spectra: 1 MS (GC)

3,20-13C2-E,E.E-geranylgeranoic acid
SpectraBase Compound ID 2xPCs85czhw
InChI InChI=1S/C20H32O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h9,11,13,15H,6-8,10,12,14H2,1-5H3,(H,21,22)/b17-11+,18-13+,19-15+/i5+1,19+1
InChIKey SZNLKILVMCHHSD-ARODYUDVSA-N
Mol Weight 306.5 g/mol
Molecular Formula C1813C2H32O2
Exact Mass 306.24694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AUCLZ7W3CTf
Name 3,20-13C2-E,E.E-geranylgeranoic acid
Comments Original formula: C18[13C]2H32O2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h9,11,13,15H,6-8,10,12,14H2,1-5H3,(H,21,22)/b17-11+,18-13+,19-15+/i5+1,19+1
InChIKey SZNLKILVMCHHSD-ARODYUDVSA-N
Molecular Weight 306.459 g/mol
SMILES OC(\C=[13C]/([13CH3])CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)=O
SPLASH splash10-059i-0900000000-2adc280e878d34903a4e
Source of Spectrum F-56-2508-4
Wiley ID 856623