| SpectraBase Spectrum ID |
6s9Sf8VfJAT |
| Name |
1-allyl-4-isothiocyanatobenzene |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
175.045570468 u |
| Formula |
C10H9NS |
| InChI |
InChI=1S/C10H9NS/c1-2-3-9-4-6-10(7-5-9)11-8-12/h2,4-7H,1,3H2 |
| InChIKey |
HJRBNOSGAIZCLV-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT95Q or Finnigan MAT90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201706609 |
| Molecular Weight |
175.249 g/mol |
| Quality |
159 |
| Reported Formula |
C10H9NS |
| SMILES |
C(CC1=CC=C(C=C1)N=C=S)=C |
| SPLASH |
splash10-016r-0900000000-865f330063b785d6989f |
| Source of Spectrum |
ACI-56-SM25-7l (DOI: 10.1002/anie.201706609) |
| Wiley ID |
1896408 |
