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Tert-butyl (2Z,4E,8E)-3-methyl-9-(2,6,6-trimethylcyclohexa-2-enyl)nona-2,4,8-trien-6-ynoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Tert-butyl (2Z,4E,8E)-3-methyl-9-(2,6,6-trimethylcyclohexa-2-enyl)nona-2,4,8-trien-6-ynoate
SpectraBase Compound ID HdoLbbrIlPe
InChI InChI=1S/C23H32O2/c1-18(17-21(24)25-22(3,4)5)13-10-8-9-11-15-20-19(2)14-12-16-23(20,6)7/h10-11,13-15,17,20H,12,16H2,1-7H3/b13-10+,15-11+,18-17-
InChIKey ATLPIIQNHLRTIM-HRSGUURUSA-N
Mol Weight 340.5 g/mol
Molecular Formula C23H32O2
Exact Mass 340.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rk52NbWlC2
Name Tert-butyl (2Z,4E,8E)-3-methyl-9-(2,6,6-trimethylcyclohexa-2-enyl)nona-2,4,8-trien-6-ynoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.240230268 u
Formula C23H32O2
InChI InChI=1S/C23H32O2/c1-18(17-21(24)25-22(3,4)5)13-10-8-9-11-15-20-19(2)14-12-16-23(20,6)7/h10-11,13-15,17,20H,12,16H2,1-7H3/b13-10+,15-11+,18-17-
InChIKey ATLPIIQNHLRTIM-HRSGUURUSA-N
Molecular Weight 340.507 g/mol
SMILES C(\C=C/(\C=C\C#C\C=C\C1C(=CCCC1(C)C)C)C)(OC(C)(C)C)=O