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16-Acetoxy-7-(ethoxycarbonylmethyloxy)-para-bis(naphthocycloheptano]benzene
SpectraBase Compound ID Co4XixN8DVs
InChI InChI=1S/C38H30O5/c1-3-41-32(40)18-42-37-33-28-16-30(26-14-22-10-6-4-8-20(22)12-24(26)28)35(33)38(43-19(2)39)36-31-17-29(34(36)37)25-13-21-9-5-7-11-23(21)15-27(25)31/h4-15,28-31H,3,16-18H2,1-2H3/t28-,29-,30+,31+/m1/s1
InChIKey ZNIBJYRGHRHMHE-VKONIRKNSA-N
Mol Weight 566.7 g/mol
Molecular Formula C38H30O5
Exact Mass 566.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BanKWVdkmDZ
Name 16-Acetoxy-7-(ethoxycarbonylmethyloxy)-para-bis(naphthocycloheptano]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H30O5
InChI InChI=1S/C38H30O5/c1-3-41-32(40)18-42-37-33-28-16-30(26-14-22-10-6-4-8-20(22)12-24(26)28)35(33)38(43-19(2)39)36-31-17-29(34(36)37)25-13-21-9-5-7-11-23(21)15-27(25)31/h4-15,28-31H,3,16-18H2,1-2H3/t28-,29-,30+,31+/m1/s1
InChIKey ZNIBJYRGHRHMHE-VKONIRKNSA-N
Molecular Weight 566.653 g/mol
SMILES c12c([C@]3(C[C@@]1(c1c3cc3ccccc3c1)[H])[H])c(OC(=O)C)c1c(c2OCC(=O)OCC)[C@]2(c3c(cc4c(c3)cccc4)[C@@]1(C2)[H])[H]
SPLASH splash10-0079-1000980000-2087aacd4f5ebfbb54ef
Source of Spectrum K1-2004-1422-3
Wiley ID 1560615