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5b,15b,25b,30c-Tetramethyl-5b,15b,25b,30c-tetrahydrodenzo[1]benzo[9',10']phenanthro[2',3':5,6]phenanthro[9",10":5',6']indeno[1',2',3':3,4]pentaleno[1,2-b]phenanthrene
SpectraBase Compound ID 8ERwlE9FUzv
InChI InChI=1S/C62H42/c1-59-53-29-47-41-23-11-5-17-35(41)37-19-7-13-25-43(37)49(47)31-55(53)60(2)57-33-51-45-27-15-9-21-39(45)40-22-10-16-28-46(40)52(51)34-58(57)61(3,62(59,60)4)56-32-50-44-26-14-8-20-38(44)36-18-6-12-24-42(36)48(50)30-54(56)59/h5-34H,1-4H3/t59-,60+,61-,62+
InChIKey NLACYRGZDZIPSZ-INAWKSNHSA-N
Mol Weight 787.0 g/mol
Molecular Formula C62H42
Exact Mass 786.328651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTk6uldQBi
Name 5b,15b,25b,30c-Tetramethyl-5b,15b,25b,30c-tetrahydrodenzo[1]benzo[9',10']phenanthro[2',3':5,6]phenanthro[9",10":5',6']indeno[1',2',3':3,4]pentaleno[1,2-b]phenanthrene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C62H42
InChI InChI=1S/C62H42/c1-59-53-29-47-41-23-11-5-17-35(41)37-19-7-13-25-43(37)49(47)31-55(53)60(2)57-33-51-45-27-15-9-21-39(45)40-22-10-16-28-46(40)52(51)34-58(57)61(3,62(59,60)4)56-32-50-44-26-14-8-20-38(44)36-18-6-12-24-42(36)48(50)30-54(56)59/h5-34H,1-4H3/t59-,60+,61-,62+
InChIKey NLACYRGZDZIPSZ-INAWKSNHSA-N
Molecular Weight 787.018 g/mol
SMILES C12(C3(c4cc5c6c(cccc6)c6c(c5cc4C1(c1cc4c5c(cccc5)c5c(c4cc1C2(c1cc2c4c(cccc4)c4c(c2cc31)cccc4)C)cccc5)C)cccc6)C)C
SPLASH splash10-00e0-0000000900-f250a21d84c353cfe68f
Source of Spectrum KC-57-3611-7
Wiley ID 1623888