Debug Info

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2UMeomDzDWs
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2UMeomDzDWs
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Mass Spectrum (GC)
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2,12-Diethyl-3,13-dimethyldibenzo[g,q]porphyrin
SpectraBase Compound ID BA8Tf1m281j
InChI InChI=1S/C34H30N4/c1-5-21-19(3)27-15-31-24-12-8-10-14-26(24)34(38-31)18-30-22(6-2)20(4)28(36-30)16-32-23-11-7-9-13-25(23)33(37-32)17-29(21)35-27/h7-18,35-36H,5-6H2,1-4H3/b27-15-,28-16-,29-17-,30-18-,31-15-,32-16-,33-17-,34-18-
InChIKey XELDNTKYSSIZFR-YLPLBUAGSA-N
Mol Weight 494.6 g/mol
Molecular Formula C34H30N4
Exact Mass 494.247047 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UMeomDzDWs
Name 2,12-Diethyl-3,13-dimethyldibenzo[g,q]porphyrin
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H30N4
InChI InChI=1S/C34H30N4/c1-5-21-19(3)27-15-31-24-12-8-10-14-26(24)34(38-31)18-30-22(6-2)20(4)28(36-30)16-32-23-11-7-9-13-25(23)33(37-32)17-29(21)35-27/h7-18,35-36H,5-6H2,1-4H3/b27-15-,28-16-,29-17-,30-18-,31-15-,32-16-,33-17-,34-18-
InChIKey XELDNTKYSSIZFR-YLPLBUAGSA-N
Molecular Weight 494.642 g/mol
SMILES [nH]1c2c(c(c1cc-1nc(cc3[nH]c(cc-4nc(c2)-c2c4cccc2)c(c3C)CC)-c2c1cccc2)CC)C
SPLASH splash10-0007-0010900000-79e6542a33290016ae12
Source of Spectrum KC-0-2464-7
Synonyms 4,18-diethyl-5,19-dimethyl-29,30,31,32-tetraazaheptacyclo[20.6.1.1(3,6).1(8,15).1(17,20).0(9,14).0(23,28)]dotriaconta-1,3,5,7,9,11,13,15(31),16,18,20,22(29),23,25,27-pentadecaene
Wiley ID 786601
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