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Allyl isothiocyanate
SpectraBase Compound ID IUiNhK0Y8Dy
InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
InChIKey ZOJBYZNEUISWFT-UHFFFAOYSA-N
Mol Weight 99.15 g/mol
Molecular Formula C4H5NS
Exact Mass 99.01427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7VthD5n41z
Name 1-Propene, 3-isothiocyanato-
Alternate Name(s) 2-Propenyl isothiocyanate 3-iso-Thiocyanatoprop-1-ene 3-Isothiocyanato-1-propene AITC Allyl isosulfocyanate Allyl isosulphocyanate Allyl isothiocyanate, non-perfume grade Allyl mustard oil Allyl sevenolum Allyl thioisocyanate Allylisothiokyanat Allylsenevol Allylsenfoel Allyspol Allyspol 75EC Artificial mustard oil Artificial oil of mustard Carbospol Isothiocyanate d'allyle Isothiocyanic acid, allyl ester Isothiocyansaeureallylester Mustard oil Mustard oil, volatile Mustard oil, volatile, synthetic Oil of mustard Oil of mustard, artificial Oleum sinapis Oleum sinapis volatile Potassium allyl isothiocyanate Potassium, (1-isothiocyanato-2-propenyl)- Propene, 3-isothiocyanato- Redskin Senf oel Synthetic mustard oil Volatile mustard oil Volatile oil of mustard AI3-15283 ALLYL ISOTHIOCYANATE, STABILIZED BRN 0773748 CASWELL NO. 027 CCRIS 20 EINECS 200-309-2 EPA PESTICIDE CHEMICAL CODE 004901 FEMA NO. 2034 HSDB 617 NCI-C50464 NSC 5572 OIL OF MUSTARD BPC 1949
CAS Registry Number 57-06-7
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Formula C4H5NS
InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
InChIKey ZOJBYZNEUISWFT-UHFFFAOYSA-N
Molecular Weight 99.151 g/mol
SMILES C=CCN=C=S
SPLASH splash10-000g-9000000000-26aa265035f1f33d74d5
Source of Spectrum LQ-1992-663-0
Wiley ID 1119068