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4-{[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraenoyl]amino}phenyl-2-(dimethylamino)acetate

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

4-{[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraenoyl]amino}phenyl-2-(dimethylamino)acetate
SpectraBase Compound ID IyMqPHlsuN6
InChI InChI=1S/C30H40N2O3/c1-22(13-18-27-24(3)12-9-19-30(27,4)5)10-8-11-23(2)20-28(33)31-25-14-16-26(17-15-25)35-29(34)21-32(6)7/h8,10-11,13-18,20H,9,12,19,21H2,1-7H3,(H,31,33)/b11-8+,18-13+,22-10+,23-20+
InChIKey WMQSBHXJUWRAIM-LDKAMJJYSA-N
Mol Weight 476.7 g/mol
Molecular Formula C30H40N2O3
Exact Mass 476.303893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C5h7Eg4Pruo
Name 4-{[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraenoyl]amino}phenyl-2-(dimethylamino)acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.303893153 u
Formula C30H40N2O3
InChI InChI=1S/C30H40N2O3/c1-22(13-18-27-24(3)12-9-19-30(27,4)5)10-8-11-23(2)20-28(33)31-25-14-16-26(17-15-25)35-29(34)21-32(6)7/h8,10-11,13-18,20H,9,12,19,21H2,1-7H3,(H,31,33)/b11-8+,18-13+,22-10+,23-20+
InChIKey WMQSBHXJUWRAIM-LDKAMJJYSA-N
Molecular Weight 476.661 g/mol
SMILES C1(\C=C\C(=C\C=C\C(=C\C(NC=2C=CC(OC(=O)CN(C)C)=CC2)=O)C)C)=C(CCCC1(C)C)C