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3-Chloro-5-hexyloxy-4-thiocyanatofuran-2(5H)-one
SpectraBase Compound ID BcBJWstNFcW
InChI InChI=1S/C11H14ClNO3S/c1-2-3-4-5-6-15-11-9(17-7-13)8(12)10(14)16-11/h11H,2-6H2,1H3
InChIKey RJTJXRWPXHULEF-UHFFFAOYSA-N
Mol Weight 275.75 g/mol
Molecular Formula C11H14ClNO3S
Exact Mass 275.038292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rcMsNddA0
Name 3-Chloro-5-hexyloxy-4-thiocyanatofuran-2(5H)-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.038292186 u
Formula C11H14ClNO3S
InChI InChI=1S/C11H14ClNO3S/c1-2-3-4-5-6-15-11-9(17-7-13)8(12)10(14)16-11/h11H,2-6H2,1H3
InChIKey RJTJXRWPXHULEF-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP5000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900749
Quality 873
SMILES C1(OC(C(=C1Cl)SC#N)OCCCCCC)=O
SPLASH splash10-06zb-7900000000-7104dc95a3c7e5481f8e
Source of Spectrum K1-2019-SM35-4e (DOI: 10.1002/ejoc.201900749)
Wiley ID 1891951