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3-METHOXYBENZYL-THIOCYANATE

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3-METHOXYBENZYL-THIOCYANATE
SpectraBase Compound ID IpV2PexTSB4
InChI InChI=1S/C9H9NOS/c1-11-9-4-2-3-8(5-9)6-12-7-10/h2-5H,6H2,1H3
InChIKey BAWQGDICORFTBO-UHFFFAOYSA-N
Mol Weight 179.24 g/mol
Molecular Formula C9H9NOS
Exact Mass 179.040485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 51i7XQ3QnvF
Name 3-METHOXYBENZYL-THIOCYANATE
Compound Number 6
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9NOS
InChI InChI=1S/C9H9NOS/c1-11-9-4-2-3-8(5-9)6-12-7-10/h2-5H,6H2,1H3
InChIKey BAWQGDICORFTBO-UHFFFAOYSA-N
Literature Reference Author J.F.STEVENS,R.L.REED,S.ALBER,L.PRITCHETT,S.MACHADO
Literature Reference Citation J.AGR.FOOD.CHEM.,57,1821(2009)
Literature Reference DOI 10.1021/jf8033732
Molecular Weight 179.237 g/mol
Sample ID 67955
Solvent CDCl3