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Acetic acid (3R,4S)-3-chloro-2-hexa-2,4-diyn-(E)-ylidene-4-hydroxy-1,6-dioxa-spiro[4.5]dec-8-yl ester
SpectraBase Compound ID 1S3uhN6huyW
InChI InChI=1S/C16H17ClO5/c1-3-4-5-6-7-13-14(17)15(19)16(22-13)9-8-12(10-20-16)21-11(2)18/h7,12,14-15,19H,8-10H2,1-2H3/b13-7+/t12-,14+,15-,16+/m1/s1
InChIKey TZXLQQXPYRGBRA-WLJXLBOQSA-N
Mol Weight 324.76 g/mol
Molecular Formula C16H17ClO5
Exact Mass 324.076451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GkbgwBPYVjF
Name Acetic acid (3R,4S)-3-chloro-2-hexa-2,4-diyn-(E)-ylidene-4-hydroxy-1,6-dioxa-spiro[4.5]dec-8-yl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17ClO5
InChI InChI=1S/C16H17ClO5/c1-3-4-5-6-7-13-14(17)15(19)16(22-13)9-8-12(10-20-16)21-11(2)18/h7,12,14-15,19H,8-10H2,1-2H3/b13-7+/t12-,14+,15-,16+/m1/s1
InChIKey TZXLQQXPYRGBRA-WLJXLBOQSA-N
Molecular Weight 324.760 g/mol
SMILES O[C@]1([C@]2(O\C(=C\C#CC#CC)[C@@]1(Cl)[H])OC[C@](OC(=O)C)(CC2)[H])[H]
SPLASH splash10-0ita-3947000000-f1712d3b3f4c8583bcfa
Source of Spectrum F-67-3537-1
Synonyms Lactiflodiyne A
Wiley ID 1686444