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1,3-Butanediol diacetate
SpectraBase Compound ID Aw2SKsvKvgf
InChI InChI=1S/C8H14O4/c1-6(12-8(3)10)4-5-11-7(2)9/h6H,4-5H2,1-3H3
InChIKey MPAGVACEWQNVQO-UHFFFAOYSA-N
Mol Weight 174.2 g/mol
Molecular Formula C8H14O4
Exact Mass 174.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kwJQ022GAq
Name 1,3-Butandiol diacetate
CAS Registry Number 1117-31-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O4
InChI InChI=1S/C8H14O4/c1-6(12-8(3)10)4-5-11-7(2)9/h6H,4-5H2,1-3H3
InChIKey MPAGVACEWQNVQO-UHFFFAOYSA-N
Molecular Weight 174.196 g/mol
SMILES CC(=O)OC(C)CCOC(=O)C
SPLASH splash10-0036-9000000000-5d4f50b341db8b624e3b
Source of Spectrum CM-1999-5204-0
Synonyms 1,3-Diacetoxy-butane 3-(Acetyloxy)butyl acetate 3-Acetyloxybutyl acetate 1,3-Butanediol, diacetate 1,3-Butylene diacetate 1,3-Butylene glycol diacetate 3-Acetoxybutyl acetate 3-Acetyloxybutyl ethanoate Acetic acid 3-acetyloxybutyl ester Acetic acid 3-acetoxybutyl ester AI3-11158 EINECS 214-244-2 NSC 67338
Wiley ID 467558