| SpectraBase Compound ID | 6zsre23EiB5 |
|---|---|
| InChI | InChI=1S/C13H18O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 |
| InChIKey | UXMQORVHJMUQFD-UHFFFAOYSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C13H18O |
| Exact Mass | 190.135765 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JEeLu9coIpk |
|---|---|
| Name | Heptanophenone |
| CAS Registry Number | 1671-75-6 |
| Classification | Designer drug precursor |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 190.135765199 u |
| Formula | C13H18O |
| InChI | InChI=1S/C13H18O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 |
| InChIKey | UXMQORVHJMUQFD-UHFFFAOYSA-N |
| Ionization Type | Chemical Ionization (CI) |
| Molecular Weight | 190.286 g/mol |
| Nominal Mass | 190 u |
| Reagent Gas | Methane |
| Retention Index | 1540 |
| SMILES | C=1(C(CCCCCC)=O)C=CC=CC1 |
| SPLASH | splash10-0006-0910000000-424a34e1a46b251ea55f |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 1-Phenylheptan-1-one |
| Technique | GC/MS |
| Wiley ID | DD2024_018660 |