| SpectraBase Spectrum ID |
9iresQrrMuT |
| Name |
6,9:33,36-Diimino-5,32:10,37-di[2]pyrrolyl[5]ylidene-16H,43H-tetrabenzo[b,j,y,g1][1,12,24,35]tetraoxacyclohexatetracontin, 17,18,19,20,21,22,23,24,25,26,44,45,46,47,48,49,50,51,52,53-eicosahydro- |
| Alternate Name(s) |
13,25,44,56-tetraoxa-67,72,73,74-tetraazaundecacyclo[30.30.4.4(6,37).1(2,5).1(33,36).1(63,66).0(7,12).0(26,31).0(38,43).0(57,62).1(68,71)]tetraheptaconta-1(63),2,4,6(71),7,9,11,26(31),27,29,32,34,36,38(43),39,41,57,59,61,64,66,68(74),69-tricosaene
5,15:10,20-bis(undecamethylenedioxydi-2,1-phenylene)porphyrin |
| CAS Registry Number |
85800-92-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C66H70N4O4 |
| InChI |
InChI=1S/C66H70N4O4/c1-3-7-11-23-43-71-59-31-19-15-27-47(59)63-51-35-39-55(67-51)65-49-29-17-21-33-61(49)73-45-25-13-9-5-2-6-10-14-26-46-74-62-34-22-18-30-50(62)66(56-40-36-52(63)68-56)58-42-38-54(70-58)64(53-37-41-57(65)69-53)48-28-16-20-32-60(48)72-44-24-12-8-4-1/h15-22,27-42,67,70H,1-14,23-26,43-46H2/b63-51-,63-52-,64-53-,64-54-,65-55-,65-57-,66-56-,66-58- |
| InChIKey |
VXOCHGOIQUNPGD-LOWPJTBBSA-N |
| Molecular Weight |
983.310 g/mol |
| SMILES |
[nH]1c2c-3c4nc(c5-c6c(OCCCCCCCCCCCOc7c(-c(c8nc(c(c9ccc5[nH]9)-c5c(OCCCCCCCCCCCOc9c3cccc9)cccc5)cc8)c1cc2)cccc7)cccc6)cc4 |
| SPLASH |
splash10-001i-0000000009-0f970a9048e910bf3015 |
| Source of Spectrum |
H-70-1187-15 |
| Wiley ID |
1418345 |
![6,9:33,36-Diimino-5,32:10,37-di[2]pyrrolyl[5]ylidene-16H,43H-tetrabenzo[b,j,y,g1][1,12,24,35]tetraoxacyclohexatetracontin, 17,18,19,20,21,22,23,24,25,26,44,45,46,47,48,49,50,51,52,53-eicosahydro-](/api/spectrum/9iresQrrMuT/structure.png?h=300&w=458 "6,9:33,36-Diimino-5,32:10,37-di[2]pyrrolyl[5]ylidene-16H,43H-tetrabenzo[b,j,y,g1][1,12,24,35]tetraoxacyclohexatetracontin, 17,18,19,20,21,22,23,24,25,26,44,45,46,47,48,49,50,51,52,53-eicosahydro-")
