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4,6-Bis(hydroxymethyl)-2-pentyl-3-butylhexahydropentalen-1(2H)-one
SpectraBase Compound ID IydTLmtpXVs
InChI InChI=1S/C19H34O3/c1-3-5-7-9-16-15(8-6-4-2)17-13(11-20)10-14(12-21)18(17)19(16)22/h13-18,20-21H,3-12H2,1-2H3
InChIKey KHIGUBIFQVUKNS-UHFFFAOYSA-N
Mol Weight 310.5 g/mol
Molecular Formula C19H34O3
Exact Mass 310.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBy5ToDQ9Wi
Name 4,6-Bis(hydroxymethyl)-2-pentyl-3-butylhexahydropentalen-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H34O3
InChI InChI=1S/C19H34O3/c1-3-5-7-9-16-15(8-6-4-2)17-13(11-20)10-14(12-21)18(17)19(16)22/h13-18,20-21H,3-12H2,1-2H3
InChIKey KHIGUBIFQVUKNS-UHFFFAOYSA-N
Molecular Weight 310.478 g/mol
SMILES OCC1C2C(C(C(C2C(CO)C1)CCCC)CCCCC)=O
SPLASH splash10-001i-2900000000-494554f0fe8c26cbba86
Source of Spectrum K1-0-2219-10
Synonyms 3-Butyl-4,6-bis(hydroxymethyl)-2-pentylhexahydro-1(2H)-pentalenone
Wiley ID 1588881