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1,2-bis[1',8'-bis(n-Decyloxy)-4'-anthryl]ethylene

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,2-bis[1',8'-bis(n-Decyloxy)-4'-anthryl]ethylene
SpectraBase Compound ID FhN6qpfkvaU
InChI InChI=1S/C70H100O4/c1-5-9-13-17-21-25-29-33-49-71-67-41-37-39-59-53-61-57(45-47-69(65(61)55-63(59)67)73-51-35-31-27-23-19-15-11-7-3)43-44-58-46-48-70(74-52-36-32-28-24-20-16-12-8-4)66-56-64-60(54-62(58)66)40-38-42-68(64)72-50-34-30-26-22-18-14-10-6-2/h37-48,53-56H,5-36,49-52H2,1-4H3/b44-43+
InChIKey UCRPWJJMHBOGRP-VGFSZAGXSA-N
Mol Weight 1005.6 g/mol
Molecular Formula C70H100O4
Exact Mass 1004.762162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1R22xKhquq
Name 1,2-bis[1',8'-bis(N-Decyloxy)-4'-anthryl]ethylene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 1004.762161696 u
Formula C70H100O4
InChI InChI=1S/C70H100O4/c1-5-9-13-17-21-25-29-33-49-71-67-41-37-39-59-53-61-57(45-47-69(65(61)55-63(59)67)73-51-35-31-27-23-19-15-11-7-3)43-44-58-46-48-70(74-52-36-32-28-24-20-16-12-8-4)66-56-64-60(54-62(58)66)40-38-42-68(64)72-50-34-30-26-22-18-14-10-6-2/h37-48,53-56H,5-36,49-52H2,1-4H3/b44-43+
InChIKey UCRPWJJMHBOGRP-VGFSZAGXSA-N
Molecular Weight 1005.566 g/mol
SMILES C=12C(C=C3C(=C2)C=CC=C3OCCCCCCCCCC)=C(OCCCCCCCCCC)C=CC1\C=C\C1=C2C(C=C3C(=C2)C=CC=C3OCCCCCCCCCC)=C(C=C1)OCCCCCCCCCC