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3-Bromo-4-thiocyanato-5-borneoxyfuran-2(5H)-one
SpectraBase Compound ID 3HsEuJDzwgx
InChI InChI=1S/C15H18BrNO3S/c1-14(2)8-4-5-15(14,3)9(6-8)19-13-11(21-7-17)10(16)12(18)20-13/h8-9,13H,4-6H2,1-3H3/t8-,9-,13?,15+/m1/s1
InChIKey VKGIGXJPDHYVLI-PSYCKLQQSA-N
Mol Weight 372.28 g/mol
Molecular Formula C15H18BrNO3S
Exact Mass 371.019078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LV9as4vrKoI
Name 3-Bromo-4-thiocyanato-5-borneoxyfuran-2(5H)-one
Appearance Colorless wax
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.019077615 u
Formula C15H18BrNO3S
InChI InChI=1S/C15H18BrNO3S/c1-14(2)8-4-5-15(14,3)9(6-8)19-13-11(21-7-17)10(16)12(18)20-13/h8-9,13H,4-6H2,1-3H3/t8-,9-,13?,15+/m1/s1
InChIKey VKGIGXJPDHYVLI-PSYCKLQQSA-N
Instrument Name Shimadzu GC-MS-QP5000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900749
Molecular Weight 372.277 g/mol
Quality 900
SMILES C1(OC(C(=C1Br)SC#N)O[C@@]1(C[C@@]2(C([C@]1(CC2)C)(C)C)[H])[H])=O
SPLASH splash10-0cea-9620000000-1ca5b70940fa43cc34e3
Source of Spectrum K1-2019-SM26-3n (DOI: 10.1002/ejoc.201900749)
Wiley ID 1891946