| SpectraBase Spectrum ID |
srQKjjiBs3 |
| Name |
Bencyclane-A (-H2O) I |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
186.140850580 u |
| Formula |
C14H18 |
| InChI |
InChI=1S/C14H18/c1-2-5-9-13(8-4-1)12-14-10-6-3-7-11-14/h3,6-8,10-11H,1-2,4-5,9,12H2 |
| InChIKey |
ZGFDPGIARWTWDK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
186.298 g/mol |
| Nominal Mass |
186 u |
| Quality |
983 |
| Retention Index |
1538 |
| SMILES |
C1(CC=2C=CC=CC2)=CCCCCC1 |
| SPLASH |
splash10-00n4-9800000000-e9643f4a87330b01da3a |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-benzylcycloheptene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013229 |
