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21H,23H-Porphine, 2,3,7,8,17,18-hexahydro-2,2,7,7,12,13,17,18,20-nonamethyl-, trans-

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21H,23H-Porphine, 2,3,7,8,17,18-hexahydro-2,2,7,7,12,13,17,18,20-nonamethyl-, trans-
SpectraBase Compound ID 2gElT46CcFR
InChI InChI=1S/C29H38N4/c1-15-16(2)23-12-24-17(3)18(4)26(33-24)19(5)27-29(8,9)14-21(31-27)11-25-28(6,7)13-20(30-25)10-22(15)32-23/h10-12,17-18,31-32H,13-14H2,1-9H3/b20-10-,21-11-,24-12-,27-19-
InChIKey VSRRDYJVAKKYAR-DCDWWMRBSA-N
Mol Weight 442.7 g/mol
Molecular Formula C29H38N4
Exact Mass 442.309647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JvqKFQ1Z7OE
Name 21H,23H-Porphine, 2,3,7,8,17,18-hexahydro-2,2,7,7,12,13,17,18,20-nonamethyl-, trans-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.309647240 u
Formula C29H38N4
InChI InChI=1S/C29H38N4/c1-15-16(2)23-12-24-17(3)18(4)26(33-24)19(5)27-29(8,9)14-21(31-27)11-25-28(6,7)13-20(30-25)10-22(15)32-23/h10-12,17-18,31-32H,13-14H2,1-9H3/b20-10-,21-11-,24-12-,27-19-
InChIKey VSRRDYJVAKKYAR-DCDWWMRBSA-N
Molecular Weight 442.651 g/mol
SMILES CC1C2=CC3=C(C)C(C)=C(N3)C=C3N=C(C=C4NC(=C(C(C1C)=N2)C)C(C)(C4)C)C(C3)(C)C