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4-Pentenyl isothiocyanate
SpectraBase Compound ID Ja2PXStN178
InChI InChI=1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2
InChIKey DBISBKDNOKIADM-UHFFFAOYSA-N
Mol Weight 127.2 g/mol
Molecular Formula C6H9NS
Exact Mass 127.04557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ksj9SqCTip2
Name 4-Pentenyl isothiocyanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9NS
InChI InChI=1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2
InChIKey DBISBKDNOKIADM-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 127.205 g/mol
SMILES C=CCCCN=C=S
SPLASH splash10-0076-9100000000-7a3891c66af9bdb98344
Source of Spectrum SRH-2022-920-0
Wiley ID 1823394