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(3a'R,6a'R)-2'-Bromo-6'-(4-hydroxybutyl)hexahydro-4'H-spiro[1,3-dioxolane-2,1'-pentalen]-4'-one
SpectraBase Compound ID LVBRj4AvzR5
InChI InChI=1S/C14H21BrO4/c15-12-8-10-11(17)7-9(3-1-2-4-16)13(10)14(12)18-5-6-19-14/h9-10,12-13,16H,1-8H2/t9?,10-,12?,13+/m0/s1
InChIKey KHKLUKFSTTYKQR-KQXCDPHESA-N
Mol Weight 333.22 g/mol
Molecular Formula C14H21BrO4
Exact Mass 332.062322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LA9ER2UID5x
Name (3a'R,6a'R)-2'-Bromo-6'-(4-hydroxybutyl)hexahydro-4'H-spiro[1,3-dioxolane-2,1'-pentalen]-4'-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21BrO4
InChI InChI=1S/C14H21BrO4/c15-12-8-10-11(17)7-9(3-1-2-4-16)13(10)14(12)18-5-6-19-14/h9-10,12-13,16H,1-8H2/t9?,10-,12?,13+/m0/s1
InChIKey KHKLUKFSTTYKQR-KQXCDPHESA-N
Molecular Weight 333.222 g/mol
SMILES OCCCCC1[C@@]2([C@@](C(=O)C1)([H])CC(C21OCCO1)Br)[H]
SPLASH splash10-0002-9221000000-f5bb34d8efeb4600cd84
Source of Spectrum F-69-7378-23
Synonyms 2'-Bromo-6'-(4-hydroxybutyl)hexahydro-4'H-spiro[1,3-dioxolane-2,1'-pentalen]-4'-one (3a'R,6a'R)-2'-bromo-6'-(4-hydroxybutyl)tetrahydro-2'H-spiro[[1,3]dioxolane-2,1'-pentalen]-4'(5'H)-one
Wiley ID 1738302