SpectraBase Compound ID | 6dn4l1Z0Pc8 |
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InChI | InChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5H2,1H3 |
InChIKey | MDKGOJZZRHBMQU-UHFFFAOYSA-N |
Mol Weight | 172.27 g/mol |
Molecular Formula | C13H16 |
Exact Mass | 172.125201 g/mol |
SpectraBase Spectrum ID | 1QBbLQqdqbd |
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Name | Benzene, 1-heptynyl- |
Comments | Window Material: QI |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C13H16 |
InChI | InChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5H2,1H3 |
InChIKey | MDKGOJZZRHBMQU-UHFFFAOYSA-N |
Instrument Name | BRUKER IFS 88 |
Purity | 98% |
Sample Description | STATE=NEAT, LIQUID |
Source of Spectrum | Prof. Buback, University of Goettingen, Germany |
Technique | NIR |