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6,7-Dicarbomethoxy-15,16-diphenyloctacyclo[10.10.1,1(4,9).0(2,11).0(3,10).0(5,8).0(15,20).0(13,22)]tetracosa-6,13,15,17,19,21-hexene

View entire compound with spectra: 1 MS (GC)

6,7-Dicarbomethoxy-15,16-diphenyloctacyclo[10.10.1,1(4,9).0(2,11).0(3,10).0(5,8).0(15,20).0(13,22)]tetracosa-6,13,15,17,19,21-hexene
SpectraBase Compound ID IBxfksCzQWU
InChI InChI=1S/C40H34O4/c1-43-39(41)37-35-29-18-30(36(35)38(37)40(42)44-2)34-32-28-17-27(31(32)33(29)34)25-15-21-13-23(19-9-5-3-6-10-19)24(14-22(21)16-26(25)28)20-11-7-4-8-12-20/h3-16,27-36H,17-18H2,1-2H3/t27-,28+,29+,30-,31-,32?,33?,34-,35?,36?/m0/s1
InChIKey KSXYMSPJFUPFNI-UHFFFAOYSA-N
Mol Weight 578.7 g/mol
Molecular Formula C40H34O4
Exact Mass 578.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99NOLQb8SU5
Name 6,7-Dicarbomethoxy-15,16-diphenyloctacyclo[10.10.1,1(4,9).0(2,11).0(3,10).0(5,8).0(15,20).0(13,22)]tetracosa-6,13,15,17,19,21-hexene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H34O4
InChI InChI=1S/C40H34O4/c1-43-39(41)37-35-29-18-30(36(35)38(37)40(42)44-2)34-32-28-17-27(31(32)33(29)34)25-15-21-13-23(19-9-5-3-6-10-19)24(14-22(21)16-26(25)28)20-11-7-4-8-12-20/h3-16,27-36H,17-18H2,1-2H3/t27-,28+,29+,30-,31-,32?,33?,34-,35?,36?/m0/s1
InChIKey KSXYMSPJFUPFNI-UHFFFAOYSA-N
Molecular Weight 578.708 g/mol
SMILES C1(=C(C(=O)OC)C2C1[C@@]1([C@]3(C4[C@]5(c6cc7cc(-c8ccccc8)c(cc7cc6[C@@]([C@@]4(C3[C@]2(C1)[H])[H])(C5)[H])-c1ccccc1)[H])[H])[H])C(=O)OC
SPLASH splash10-004i-0003090000-6a5107edeb2b1348868e
Source of Spectrum KC-61-6973-5
Wiley ID 1629867