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Lachnellulone
SpectraBase Compound ID 47jJ9JMaHdi
InChI InChI=1S/C18H28O5/c1-3-5-7-9-14-16(19)17(20)15(18(21)23-14)13-11-10-12(22-13)8-6-4-2/h12,14,16,19H,3-11H2,1-2H3/b15-13+
InChIKey XUXPQZIAHQAQKO-FYWRMAATSA-N
Mol Weight 324.42 g/mol
Molecular Formula C18H28O5
Exact Mass 324.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGN1208vBRK
Name Lachnellulone
CAS Registry Number 98036-41-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O5
InChI InChI=1S/C18H28O5/c1-3-5-7-9-14-16(19)17(20)15(18(21)23-14)13-11-10-12(22-13)8-6-4-2/h12,14,16,19H,3-11H2,1-2H3/b15-13+
InChIKey XUXPQZIAHQAQKO-FYWRMAATSA-N
Molecular Weight 324.417 g/mol
SMILES OC1C(\C(C(OC1CCCCC)=O)=C\1OC(CCCC)CC1)=O
SPLASH splash10-03di-0390000000-45a89d2496da1808a958
Source of Spectrum I-66-510-0
Synonyms (3E)-3-(5-butyl-2-oxolanylidene)-5-hydroxy-6-pentyloxane-2,4-dione (3E)-3-(5-butyloxolan-2-ylidene)-5-hydroxy-6-pentyloxane-2,4-dione (3E)-3-(5-butyloxolan-2-ylidene)-5-oxidanyl-6-pentyl-oxane-2,4-dione (3E)-3-(5-butyltetrahydrofuran-2-ylidene)-5-hydroxy-6-pentyl-tetrahydropyran-2,4-dione (3E)-6-amyl-3-(5-butyltetrahydrofuran-2-ylidene)-5-hydroxy-tetrahydropyran-2,4-quinone
Wiley ID 1323217