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8,12,13,17-Tetraethyl-2-formyl-3,7,18-trimethyl-21-carbaporphrin
SpectraBase Compound ID 2E0s5ZKgLEt
InChI InChI=1S/C33H37N3O/c1-8-23-19(6)28-13-21-12-22(27(17-37)18(21)5)14-29-20(7)24(9-2)31(35-29)16-33-26(11-4)25(10-3)32(36-33)15-30(23)34-28/h12-17,34-35H,8-11H2,1-7H3/b21-13+,22-14+,28-13-,29-14-,30-15-,31-16-,32-15-,33-16-
InChIKey PVSTZVLOCKDXPC-YEAOKJSGSA-N
Mol Weight 491.7 g/mol
Molecular Formula C33H37N3O
Exact Mass 491.293663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4iQzdEgPJtp
Name 8,12,13,17-Tetraethyl-2-formyl-3,7,18-trimethyl-21-carbaporphrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H37N3O
InChI InChI=1S/C33H37N3O/c1-8-23-19(6)28-13-21-12-22(27(17-37)18(21)5)14-29-20(7)24(9-2)31(35-29)16-33-26(11-4)25(10-3)32(36-33)15-30(23)34-28/h12-17,34-35H,8-11H2,1-7H3/b21-13+,22-14+,28-13-,29-14-,30-15-,31-16-,32-15-,33-16-
InChIKey PVSTZVLOCKDXPC-YEAOKJSGSA-N
Molecular Weight 491.679 g/mol
SMILES N1\C=2C(=C(\C1=C/C=1C(=C(\C(=C\c3[nH]c(\C=C\4N=C(C\2)C(=C4CC)CC)c(c3C)CC)C1)C)C=O)C)CC
SPLASH splash10-0006-0000900000-d82a14876c6b3cb9d305
Source of Spectrum J-67-4872-45
Wiley ID 1570335