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5-Benzyloxy-3-bromo-4-thiocyanatofuran-2(5H)-one
SpectraBase Compound ID 1NSrzPM07Wp
InChI InChI=1S/C12H8BrNO3S/c13-9-10(18-7-14)12(17-11(9)15)16-6-8-4-2-1-3-5-8/h1-5,12H,6H2
InChIKey PJPVSESXDSKTRH-UHFFFAOYSA-N
Mol Weight 326.16 g/mol
Molecular Formula C12H8BrNO3S
Exact Mass 324.940827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mHXoHLN6pk
Name 5-Benzyloxy-3-bromo-4-thiocyanatofuran-2(5H)-one
Appearance Yellowish oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.940827293 u
Formula C12H8BrNO3S
InChI InChI=1S/C12H8BrNO3S/c13-9-10(18-7-14)12(17-11(9)15)16-6-8-4-2-1-3-5-8/h1-5,12H,6H2
InChIKey PJPVSESXDSKTRH-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP5000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900749
Molecular Weight 326.164 g/mol
Quality 739
SMILES C1(OC(C(=C1Br)SC#N)OCC1=CC=CC=C1)=O
SPLASH splash10-02bf-9710000000-0ea129eb13c465792b64
Source of Spectrum K1-2019-SM28-3o (DOI: 10.1002/ejoc.201900749)
Wiley ID 1891947