Benzene, (2-isothiocyanatoethyl)-
- Formula: C9H9NS
- Molecular weight: 163.239
- IUPAC Standard InChI: InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
- IUPAC Standard InChIKey: IZJDOKYDEWTZSO-UHFFFAOYSA-N
- CAS Registry Number: 2257-09-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Isothiocyanic acid, phenethyl ester; β-Phenethyl isothiocyanate; β-Phenylethyl isothiocyanate; Phenethyl isothiocyanate; Phenethyl mustard oil; Phenylethyl isothiocyanate; Phenylethyl mustard oil; 2-Phenylethyl isothiocyanate; Isothiocyanic acid β-phenylethyl ester; Phenylaethylsenfoel; NSC 87868; (2-Isothiocyanatoethyl)benzene
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Normal alkane RI, polar column, temperature ramp
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
| Column type | Capillary |
|---|---|
| Active phase | CP-Wax 52CB |
| Column length (m) | 30. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 40. |
| Tend (C) | 220. |
| Heat rate (K/min) | 4. |
| Initial hold (min) | 1. |
| Final hold (min) | |
| I | 2216. |
| Reference | Rohloff and Bones, 2005 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Rohloff and Bones, 2005
Rohloff, J.; Bones, A.M.,
Volatile profiling of Arabidopsis thaliana - Putative olfactory compounds in plant communication,
Phytochemistry, 2005, 66, 16, 1941-1955, https://doi.org/10.1016/j.phytochem.2005.06.021
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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