| SpectraBase Spectrum ID |
A69kcYOTTDq |
| Name |
1-[1-(Allylsulfanyl)-2-nitroethyl]-4-methoxybenzene |
| Alternate Name(s) |
1-methoxy-4-(2-nitro-1-prop-2-enylsulfanyl-ethyl)benzene
1-methoxy-4-[2-nitro-1-(prop-2-enylthio)ethyl]benzene
1-[1-(allylthio)-2-nitro-ethyl]-4-methoxy-benzene
Benzene, 1-methoxy-4-[2-nitro-1-(2-propenylthio)ethyl]-
1-methoxy-4-(2-nitro-1-prop-2-enylsulfanylethyl)benzene |
| CAS Registry Number |
127865-40-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H15NO3S |
| InChI |
InChI=1S/C12H15NO3S/c1-3-8-17-12(9-13(14)15)10-4-6-11(16-2)7-5-10/h3-7,12H,1,8-9H2,2H3 |
| InChIKey |
AAMMAJZRCLPUMR-UHFFFAOYSA-N |
| Molecular Weight |
253.316 g/mol |
| SMILES |
COc1ccc(cc1)C(CN(=O)=O)SCC=C |
| SPLASH |
splash10-001i-0920000000-ea2f80040cf97a87830c |
| Source of Spectrum |
J-55-5507-7 |
| Wiley ID |
1256633 |
![1-[1-(Allylsulfanyl)-2-nitroethyl]-4-methoxybenzene](/api/spectrum/A69kcYOTTDq/structure.png?h=300&w=458 "1-[1-(Allylsulfanyl)-2-nitroethyl]-4-methoxybenzene")
