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21H,23H-Porphine-2-propanoic acid, 7,8-dihydro-5,10,15,20-tetraphenyl-, methyl ester
SpectraBase Compound ID HeAKrMieY2q
InChI InChI=1S/C48H38N4O2/c1-54-43(53)29-22-35-30-42-46(33-18-10-4-11-19-33)40-26-25-38(50-40)44(31-14-6-2-7-15-31)36-23-24-37(49-36)45(32-16-8-3-9-17-32)39-27-28-41(51-39)47(48(35)52-42)34-20-12-5-13-21-34/h2-21,23-24,27-28,30,49,52H,22,25-26,29H2,1H3/b44-36-,44-38-,45-37-,45-39-,46-40-,46-42-,47-41-,48-47-
InChIKey ZVNFYLZZJSTCKJ-ZDMNOSTMSA-N
Mol Weight 702.9 g/mol
Molecular Formula C48H38N4O2
Exact Mass 702.299476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yoZLrDl7Du
Name 21H,23H-Porphine-2-propanoic acid, 7,8-dihydro-5,10,15,20-tetraphenyl-, methyl ester
Alternate Name(s) 1-(2-Methoxycarbonylethyl)tetraphenylchlorin Methyl 3-[2,7,12,17-tetraphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,11(23),12,14,16,18(21),19-decaen-4-yl]propanoate
CAS Registry Number 122182-41-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H38N4O2
InChI InChI=1S/C48H38N4O2/c1-54-43(53)29-22-35-30-42-46(33-18-10-4-11-19-33)40-26-25-38(50-40)44(31-14-6-2-7-15-31)36-23-24-37(49-36)45(32-16-8-3-9-17-32)39-27-28-41(51-39)47(48(35)52-42)34-20-12-5-13-21-34/h2-21,23-24,27-28,30,49,52H,22,25-26,29H2,1H3/b44-36-,44-38-,45-37-,45-39-,46-40-,46-42-,47-41-,48-47-
InChIKey ZVNFYLZZJSTCKJ-ZDMNOSTMSA-N
Molecular Weight 702.858 g/mol
SMILES [nH]1c2c(cc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccccc2)cc4)-c2ccccc2)cc3)-c2ccccc2)CC1)-c1ccccc1)CCC(=O)OC
SPLASH splash10-0udi-0041000900-19da8ed0e9908c6fee73
Source of Spectrum KC-1988-3130-33
Wiley ID 1415117