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Benz[1,2-E;3,4-E':5,6-E'']tribenzo[L]acephenanthrylene

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Benz[1,2-E;3,4-E':5,6-E'']tribenzo[L]acephenanthrylene
SpectraBase Compound ID 8gVYYgHKCS1
InChI InChI=1S/C60H30/c1-4-13-37-31(10-1)22-25-34-28-46-52-40(49(34)37)16-7-19-43(52)55-58(46)56-44-20-8-17-41-51-36(27-24-33-12-3-6-15-39(33)51)30-48(53(41)44)60(56)57-45-21-9-18-42-50-35(29-47(54(42)45)59(55)57)26-23-32-11-2-5-14-38(32)50/h1-30H
InChIKey GJCVYOZXFDDFCZ-UHFFFAOYSA-N
Mol Weight 750.9 g/mol
Molecular Formula C60H30
Exact Mass 750.234751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3kL7Isiu5Cd
Name Benz[1,2-E;3,4-E':5,6-E'']tribenzo[L]acephenanthrylene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 750.234750966 u
Formula C60H30
InChI InChI=1S/C60H30/c1-4-13-37-31(10-1)22-25-34-28-46-52-40(49(34)37)16-7-19-43(52)55-58(46)56-44-20-8-17-41-51-36(27-24-33-12-3-6-15-39(33)51)30-48(53(41)44)60(56)57-45-21-9-18-42-50-35(29-47(54(42)45)59(55)57)26-23-32-11-2-5-14-38(32)50/h1-30H
InChIKey GJCVYOZXFDDFCZ-UHFFFAOYSA-N
Molecular Weight 750.900 g/mol
SMILES C12=C(C=3C=4C=5C(=CC=CC5C3C3=C2C2=C5C(C6=C7C(C=CC=C7)=CC=C6C=C35)=CC=C2)C=2C(C4)=CC=C3C2C=CC=C3)C2=CC=CC3=C2C1=CC1=C3C=2C(=CC=CC2)C=C1