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(2Z,4E,8E)-3-Ethyl-9-(2,6,6-trimethylcyclohexa-2-enyl)nona-2,4,8-trien-6-ynoic acid

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(2Z,4E,8E)-3-Ethyl-9-(2,6,6-trimethylcyclohexa-2-enyl)nona-2,4,8-trien-6-ynoic acid
SpectraBase Compound ID CwH6zzFf0sY
InChI InChI=1S/C20H26O2/c1-5-17(15-19(21)22)12-8-6-7-9-13-18-16(2)11-10-14-20(18,3)4/h8-9,11-13,15,18H,5,10,14H2,1-4H3,(H,21,22)/b12-8+,13-9+,17-15-
InChIKey SSKRMXOHYQLQKH-XPHBAIEFSA-N
Mol Weight 298.43 g/mol
Molecular Formula C20H26O2
Exact Mass 298.19328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IYH62W54g5N
Name (2Z,4E,8E)-3-Ethyl-9-(2,6,6-trimethylcyclohexa-2-enyl)nona-2,4,8-trien-6-ynoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.193280075 u
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-5-17(15-19(21)22)12-8-6-7-9-13-18-16(2)11-10-14-20(18,3)4/h8-9,11-13,15,18H,5,10,14H2,1-4H3,(H,21,22)/b12-8+,13-9+,17-15-
InChIKey SSKRMXOHYQLQKH-XPHBAIEFSA-N
SMILES C(#C\C=C\C1C(=CCCC1(C)C)C)\C=C\C(=C/C(=O)O)CC