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Naphthopentafurophane
SpectraBase Compound ID EJd8UHEhx5B
InChI InChI=1S/C48H52O5/c1-43(2)31-17-18-32(30-16-14-13-15-29(30)31)44(3,4)34-20-22-36(50-34)46(7,8)38-24-26-40(52-38)48(11,12)42-28-27-41(53-42)47(9,10)39-25-23-37(51-39)45(5,6)35-21-19-33(43)49-35/h13-28H,1-12H3
InChIKey XKIDDERPCLUVBY-UHFFFAOYSA-N
Mol Weight 708.9 g/mol
Molecular Formula C48H52O5
Exact Mass 708.381475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3YOQjJPKq5
Name Naphthopentafurophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H52O5
InChI InChI=1S/C48H52O5/c1-43(2)31-17-18-32(30-16-14-13-15-29(30)31)44(3,4)34-20-22-36(50-34)46(7,8)38-24-26-40(52-38)48(11,12)42-28-27-41(53-42)47(9,10)39-25-23-37(51-39)45(5,6)35-21-19-33(43)49-35/h13-28H,1-12H3
InChIKey XKIDDERPCLUVBY-UHFFFAOYSA-N
Molecular Weight 708.939 g/mol
SMILES c12C(c3oc(C(c4oc(C(c5oc(C(c6ccc(C(c7oc(C(c(o2)cc1)(C)C)cc7)(C)C)c1c6cccc1)(C)C)cc5)(C)C)cc4)(C)C)cc3)(C)C
SPLASH splash10-0006-0200119300-5155999923bd20354f3d
Source of Spectrum QE-5-366-3
Wiley ID 843912