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trans-2-[(1E,5E)-2,6,10-trimethyl-1,5,9-undecatrienyl]cyclopropanecarboxylic acid
SpectraBase Compound ID 5LaNSTLV7Zp
InChI InChI=1S/C18H28O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-16-12-17(16)18(19)20/h7,9,11,16-17H,5-6,8,10,12H2,1-4H3,(H,19,20)/b14-9+,15-11+/t16-,17-/m1/s1
InChIKey WGSCPBVMKQHKEE-TXPYRGBKSA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIg1t1ObIYD
Name trans-2-[(1E,5E)-2,6,10-trimethyl-1,5,9-undecatrienyl]cyclopropanecarboxylic acid
Alternate Name(s) (1R,2S)-2-[(1E,5E)-2,6,10-trimethyl-1,5,9-undecatrienyl]cyclopropanecarboxylic acid
CAS Registry Number 117145-03-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-16-12-17(16)18(19)20/h7,9,11,16-17H,5-6,8,10,12H2,1-4H3,(H,19,20)/b14-9+,15-11+/t16-,17-/m1/s1
InChIKey WGSCPBVMKQHKEE-TXPYRGBKSA-N
Molecular Weight 276.420 g/mol
SMILES OC([C@]1([C@@](C1)(\C=C\(CC\C=C\(CCC=C(C)C)C)C)[H])[H])=O
SPLASH splash10-014i-9000000000-312d0ea3e8c1dedd2648
Source of Spectrum J-53-5908-23
Wiley ID 1280495