| SpectraBase Spectrum ID |
1fSpa1qQOO |
| Name |
Isooctane |
| CAS Registry Number |
540-84-1 |
| Classification |
Solvent |
| Comments |
Original RI info: <1000* |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
114.140850580 u |
| Formula |
C8H18 |
| InChI |
InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3 |
| InChIKey |
NHTMVDHEPJAVLT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
114.232 g/mol |
| SMILES |
CC(CC(C)C)(C)C |
| SPLASH |
splash10-0a4i-9000000000-5aaef8ffd4e6af8db547 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_2753 |
