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2-Butene-1,4-diol, 2-[2-(3,3-dimethyloxiranyl)ethyl]-, (E)-
SpectraBase Compound ID 96Fi1Ok8WnG
InChI InChI=1S/C10H18O3/c1-10(2)9(13-10)4-3-8(7-12)5-6-11/h5,9,11-12H,3-4,6-7H2,1-2H3/b8-5+
InChIKey IABOJDDMSOYJIF-VMPITWQZSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6kcBmXbDV3
Name 2-Butene-1,4-diol, 2-[2-(3,3-dimethyloxiranyl)ethyl]-, (E)-
CAS Registry Number 100582-46-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-10(2)9(13-10)4-3-8(7-12)5-6-11/h5,9,11-12H,3-4,6-7H2,1-2H3/b8-5+
InChIKey IABOJDDMSOYJIF-VMPITWQZSA-N
Molecular Weight 186.251 g/mol
SMILES OC\C=C\(CO)CCC1OC1(C)C
SPLASH splash10-053r-9000000000-e1e62d293743a7430db2
Source of Spectrum KC-1985-1592-10
Synonyms (2E)-2-[2-(3,3-dimethyl-2-oxiranyl)ethyl]-2-butene-1,4-diol (2E)-3-Hydroxymethyl-7-methyl-6,7-epoxyoct-2-en-1-ol
Wiley ID 1182843