| SpectraBase Compound ID | JWB0uAWdmK9 |
|---|---|
| InChI | InChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h4-12H,2-3H2,1H3/b5-4+,10-7- |
| InChIKey | QCFPAVBQFXWYGW-PCOCSGSJSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C13H16 |
| Exact Mass | 172.125201 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FzovO2WpQ3a |
|---|---|
| Name | 1-Phenyl-1,3-heptadiene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16 |
| InChI | InChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h4-12H,2-3H2,1H3/b5-4+,10-7- |
| InChIKey | QCFPAVBQFXWYGW-PCOCSGSJSA-N |
| Molecular Weight | 172.271 g/mol |
| SMILES | C(\C=C\C=C/c1ccccc1)CC |
| SPLASH | splash10-00ou-2900000000-d677dede503ef546dd7e |
| Source of Spectrum | AJ-64-2313-0 |
| Synonyms | (1Z,3E)-1,3-heptadienylbenzene |
| Wiley ID | 1169536 |