Butane, 1-isothiocyanato-3-methyl-
- Formula: C6H11NS
- Molecular weight: 129.223
- IUPAC Standard InChI: InChI=1S/C6H11NS/c1-6(2)3-4-7-5-8/h6H,3-4H2,1-2H3
- IUPAC Standard InChIKey: JATNWMBUDXLMEO-UHFFFAOYSA-N
- CAS Registry Number: 628-03-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 3-Methylbutyl isothiocyanate
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Normal alkane RI, non-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 | Capillary |
|---|---|---|
| Active phase | HP-1 | CP Sil 5 CB |
| Column length (m) | 50. | 30. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.2 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 |
| Tstart (C) | 60. | 40. |
| Tend (C) | 250. | 220. |
| Heat rate (K/min) | 2. | 4. |
| Initial hold (min) | 1. | |
| Final hold (min) | 40. | |
| I | 1025. | 1036. |
| Reference | Valette, Fernandez, et al., 2006 | Rohloff and Bones, 2005 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Valette, Fernandez, et al., 2006
Valette, L.; Fernandez, X.; Poulain, S.; Lizzani-Cuvelier, L.; Loiseau, A.-M.,
Chemical composition of the volatile extracts from Brassica oleracea L. var. botrytis 'Romanesco' cauliflower seeds,
Flavour Fragr. J., 2006, 21, 1, 107-110, https://doi.org/10.1002/ffj.1530
. [all data]
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, non-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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