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Hexaoxamacrocyclo
SpectraBase Compound ID EkJVcXHWphv
InChI InChI=1S/C48H56O6/c1-43(2)31-15-16-32(49-31)44(3,4)36-20-25-41(52-36)48(29-13-10-14-30-48)42-26-22-38(54-42)46(7,8)34-18-17-33(50-34)45(5,6)37-21-24-40(53-37)47(27-11-9-12-28-47)39-23-19-35(43)51-39/h15-26H,9-14,27-30H2,1-8H3
InChIKey TXRFDAMBZNPSJI-UHFFFAOYSA-N
Mol Weight 729.0 g/mol
Molecular Formula C48H56O6
Exact Mass 728.40769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7oD3YfpG0n2
Name Hexaoxamacrocyclo
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H56O6
InChI InChI=1S/C48H56O6/c1-43(2)31-15-16-32(49-31)44(3,4)36-20-25-41(52-36)48(29-13-10-14-30-48)42-26-22-38(54-42)46(7,8)34-18-17-33(50-34)45(5,6)37-21-24-40(53-37)47(27-11-9-12-28-47)39-23-19-35(43)51-39/h15-26H,9-14,27-30H2,1-8H3
InChIKey TXRFDAMBZNPSJI-UHFFFAOYSA-N
Molecular Weight 728.970 g/mol
SMILES c12C3(c4oc(C(c5oc(C(c6oc(C7(c8oc(C(c9oc(C(c(o2)cc1)(C)C)cc9)(C)C)cc8)CCCCC7)cc6)(C)C)cc5)(C)C)cc4)CCCCC3
SPLASH splash10-03fr-0000001900-2436acbd54748210a90f
Source of Spectrum C5-2004-867-11
Wiley ID 1616858