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2,3-Bis(acetyloxy)-1-[1-(acetyloxy)butyl]-6-isothiocyanatohexyl acetate
SpectraBase Compound ID 8xR1nDQ5IjW
InChI InChI=1S/C19H29NO8S/c1-6-8-16(25-12(2)21)18(27-14(4)23)19(28-15(5)24)17(26-13(3)22)9-7-10-20-11-29/h16-19H,6-10H2,1-5H3
InChIKey JFOLVZBHSBEACO-UHFFFAOYSA-N
Mol Weight 431.5 g/mol
Molecular Formula C19H29NO8S
Exact Mass 431.161388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KANagIzeIwD
Name 2,3-Bis(acetyloxy)-1-[1-(acetyloxy)butyl]-6-isothiocyanatohexyl acetate
CAS Registry Number 57103-44-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29NO8S
InChI InChI=1S/C19H29NO8S/c1-6-8-16(25-12(2)21)18(27-14(4)23)19(28-15(5)24)17(26-13(3)22)9-7-10-20-11-29/h16-19H,6-10H2,1-5H3
InChIKey JFOLVZBHSBEACO-UHFFFAOYSA-N
Molecular Weight 431.500 g/mol
SMILES CCCC(C(C(C(OC(C)=O)CCCN=C=S)OC(C)=O)OC(C)=O)OC(C)=O
SPLASH splash10-006y-9811000000-bad5a92eec6f2220ef6f
Source of Spectrum W5-1989-33955-31581
Synonyms (2,3,4-triacetoxy-7-isothiocyanato-1-propyl-heptyl) acetate (5,6,7-triacetyloxy-10-isothiocyanato-decan-4-yl) ethanoate (5,6,7-triacetyloxy-10-isothiocyanatodecan-4-yl) acetate 4,5,6,7-Tetraacetoxydecyl isothiocyanate Acetic acid (2,3,4-triacetoxy-7-isothiocyanato-1-propyl-heptyl) ester Acetic acid (5,6,7-triacetyloxy-10-isothiocyanatodecan-4-yl) ester
Wiley ID 1381915