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(1-ethynyl-3,3-dimethyl-pent-4-enyl) thiocyanate
SpectraBase Compound ID 9mkWysC4Bs7
InChI InChI=1S/C10H13NS/c1-5-9(12-8-11)7-10(3,4)6-2/h1,6,9H,2,7H2,3-4H3
InChIKey UIQHGYGJHKPUQP-UHFFFAOYSA-N
Mol Weight 179.28 g/mol
Molecular Formula C10H13NS
Exact Mass 179.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vnkjk15NNU
Name (1-ethynyl-3,3-dimethyl-pent-4-enyl) thiocyanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NS
InChI InChI=1S/C10H13NS/c1-5-9(12-8-11)7-10(3,4)6-2/h1,6,9H,2,7H2,3-4H3
InChIKey UIQHGYGJHKPUQP-UHFFFAOYSA-N
Molecular Weight 179.281 g/mol
SMILES C(#N)SC(C#C)CC(C=C)(C)C
SPLASH splash10-0a4i-9000000000-2afb37a512d00d9091b4
Source of Spectrum SO-0-1427-3
Synonyms 5,5-Dimethylhept-6-en-1-yn-3-yl thiocyanate thiocyanic acid (1-ethynyl-3,3-dimethyl-pent-4-enyl) ester thiocyanic acid 5,5-dimethylhept-6-en-1-yn-3-yl ester
Wiley ID 865153