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7,16-Bis(ethoxycarbonylmethyloxy)-para-bis(naphthocycloheptano]benzene
SpectraBase Compound ID IQCAP0KApcJ
InChI InChI=1S/C40H34O6/c1-3-43-33(41)19-45-39-35-29-17-31(27-15-23-11-7-5-9-21(23)13-25(27)29)37(35)40(46-20-34(42)44-4-2)38-32-18-30(36(38)39)26-14-22-10-6-8-12-24(22)16-28(26)32/h5-16,29-32H,3-4,17-20H2,1-2H3/t29-,30-,31+,32+
InChIKey RHBVIXJRQMDARG-TZLSHIEUSA-N
Mol Weight 610.7 g/mol
Molecular Formula C40H34O6
Exact Mass 610.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CptFejJ43t3
Name 7,16-Bis(ethoxycarbonylmethyloxy)-para-bis(naphthocycloheptano]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H34O6
InChI InChI=1S/C40H34O6/c1-3-43-33(41)19-45-39-35-29-17-31(27-15-23-11-7-5-9-21(23)13-25(27)29)37(35)40(46-20-34(42)44-4-2)38-32-18-30(36(38)39)26-14-22-10-6-8-12-24(22)16-28(26)32/h5-16,29-32H,3-4,17-20H2,1-2H3/t29-,30-,31+,32+
InChIKey RHBVIXJRQMDARG-TZLSHIEUSA-N
Molecular Weight 610.706 g/mol
SMILES c12c(c(OCC(=O)OCC)c3c(c1OCC(=O)OCC)[C@]1(c4c(cc5c(c4)cccc5)[C@@]3(C1)[H])[H])[C@]1(C[C@@]2(c2c1cc1ccccc1c2)[H])[H]
SPLASH splash10-03di-0000149000-77d845a52ad1b29ee4d3
Source of Spectrum K1-2004-1420-3
Wiley ID 1560617