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cis-3,17-Dipentyl-1,5,15,19-tetraoxatetraspiro[5.2.1.2.5.2.2.2]pentacosan-10-one
SpectraBase Compound ID GbPltfaYvgb
InChI InChI=1S/C31H52O5/c1-3-5-7-9-25-21-33-30(34-22-25)17-13-28(14-18-30)11-12-29(27(28)32)15-19-31(20-16-29)35-23-26(24-36-31)10-8-6-4-2/h25-26H,3-24H2,1-2H3
InChIKey HMXQDEUZDSMNPE-UHFFFAOYSA-N
Mol Weight 504.8 g/mol
Molecular Formula C31H52O5
Exact Mass 504.381475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0dBcKoNzuR
Name cis-3,17-Dipentyl-1,5,15,19-tetraoxatetraspiro[5.2.1.2.5.2.2.2]pentacosan-10-one
CAS Registry Number 139628-97-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O5
InChI InChI=1S/C31H52O5/c1-3-5-7-9-25-21-33-30(34-22-25)17-13-28(14-18-30)11-12-29(27(28)32)15-19-31(20-16-29)35-23-26(24-36-31)10-8-6-4-2/h25-26H,3-24H2,1-2H3
InChIKey HMXQDEUZDSMNPE-UHFFFAOYSA-N
Molecular Weight 504.752 g/mol
SMILES C1(C2(CCC11CCC3(CC1)OCC(CO3)CCCCC)CCC1(CC2)OCC(CO1)CCCCC)=O
SPLASH splash10-001i-0900000000-e2e281ad2b4327054365
Source of Spectrum K-125-1871-5
Synonyms trans-3,17-Dipentyl-1,5,15,19-tetraoxatetraspiro[5.2.1.2.5.2.2.2]pentacosan-10-one 3,17-dipentyl-1,5,15,19-tetraoxatetraspiro[5.2.1.2.5.2.2.2]pentacosan-10-one
Wiley ID 1399637