For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3,(!),5(1)-cyclo-3(1)-ethyl-2,7,8,12,13,17,18-heptapropyl-21H,23H-porphin
SpectraBase Compound ID IGIrAkQ1SU1
InChI InChI=1S/C45H62N4/c1-9-17-29-31(19-11-3)39-26-41-33(21-13-5)34(22-14-6)44(48-41)36-24-28(16-8)43-35(23-15-7)42(49-45(36)43)27-40-32(20-12-4)30(18-10-2)38(47-40)25-37(29)46-39/h25-28,46,49H,9-24H2,1-8H3/b37-25-,38-25-,39-26-,40-27-,41-26-,42-27-,44-36-
InChIKey FOJYAHAFYBULLR-UYKICCJPSA-N
Mol Weight 659.0 g/mol
Molecular Formula C45H62N4
Exact Mass 658.497448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID B08NV4XZxYW
Name 3,(!),5(1)-cyclo-3(1)-ethyl-2,7,8,12,13,17,18-heptapropyl-21H,23H-porphin
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H62N4
InChI InChI=1S/C45H62N4/c1-9-17-29-31(19-11-3)39-26-41-33(21-13-5)34(22-14-6)44(48-41)36-24-28(16-8)43-35(23-15-7)42(49-45(36)43)27-40-32(20-12-4)30(18-10-2)38(47-40)25-37(29)46-39/h25-28,46,49H,9-24H2,1-8H3/b37-25-,38-25-,39-26-,40-27-,41-26-,42-27-,44-36-
InChIKey FOJYAHAFYBULLR-UYKICCJPSA-N
Molecular Weight 659.019 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c4c(c5nc(c2)c(c5CCC)CCC)CC(c4c3CCC)CC)c(c1CCC)CCC)CCC)CCC
SPLASH splash10-0bt9-0000009000-ca44d1e2f07c1222b2e1
Source of Spectrum HC-20-752-0
Synonyms 3, (),5(1)-cyclo-3(1)-ethyl-2,7,8,12,13,17,18-heptapropyl-21H,23H-porphin 4-Ethyl-11,12,16,17,21,22,26-heptapropyl-7,23,24,25-tetraazahexacyclo[18.2.1.1(5,8).1(10,13).1(15,18).0(2,6)]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23),21-undecaene
Wiley ID 1413509