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Dimethyl 3,3'-[3"-(1"'-benzoyloxy-4"'-hydroxybut-1"'-yl)-2",7",12",18"-tetramethyl-21H.23H-porphyrin-13",17"-diyl]-dipropionate

View entire compound with spectra: 1 MS (GC)

Dimethyl 3,3'-[3"-(1"'-benzoyloxy-4"'-hydroxybut-1"'-yl)-2",7",12",18"-tetramethyl-21H.23H-porphyrin-13",17"-diyl]-dipropionate
SpectraBase Compound ID 1d5Z15TdGJQ
InChI InChI=1S/C43H46N4O7/c1-24-19-29-20-33-25(2)30(14-16-40(49)52-5)36(45-33)23-37-31(15-17-41(50)53-6)26(3)34(46-37)22-35-27(4)42(38(47-35)21-32(24)44-29)39(13-10-18-48)54-43(51)28-11-8-7-9-12-28/h7-9,11-12,19-23,39,45,47-48H,10,13-18H2,1-6H3/b29-20-,32-21-,33-20-,34-22-,35-22-,36-23-,37-23-,38-21-
InChIKey ZIZLZWWFSNZOLO-BTURKJBKSA-N
Mol Weight 730.9 g/mol
Molecular Formula C43H46N4O7
Exact Mass 730.33665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHQ6F3jspzN
Name Dimethyl 3,3'-[3"-(1"'-benzoyloxy-4"'-hydroxybut-1"'-yl)-2",7",12",18"-tetramethyl-21H.23H-porphyrin-13",17"-diyl]-dipropionate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H46N4O7
InChI InChI=1S/C43H46N4O7/c1-24-19-29-20-33-25(2)30(14-16-40(49)52-5)36(45-33)23-37-31(15-17-41(50)53-6)26(3)34(46-37)22-35-27(4)42(38(47-35)21-32(24)44-29)39(13-10-18-48)54-43(51)28-11-8-7-9-12-28/h7-9,11-12,19-23,39,45,47-48H,10,13-18H2,1-6H3/b29-20-,32-21-,33-20-,34-22-,35-22-,36-23-,37-23-,38-21-
InChIKey ZIZLZWWFSNZOLO-BTURKJBKSA-N
Molecular Weight 730.862 g/mol
SMILES [nH]1c2c(c(C(CCCO)OC(=O)c3ccccc3)c1cc1nc(cc3c(c(c(cc4nc(c2)c(c4CCC(=O)OC)C)[nH]3)CCC(=O)OC)C)cc1C)C
SPLASH splash10-0a4i-0000009000-96fcead26093984a33eb
Source of Spectrum U-1995-1038-11
Wiley ID 767004