| SpectraBase Spectrum ID |
5Aft2ctaqm |
| Name |
Piperonal |
| CAS Registry Number |
120-57-0 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
150.031694050 u |
| Formula |
C8H6O3 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2 |
| InChIKey |
SATCULPHIDQDRE-UHFFFAOYSA-N |
| Molecular Weight |
150.133 g/mol |
| Nominal Mass |
150 u |
| Number of Peaks |
104 |
| SMILES |
C(=O)c1cc2c(cc1)OCO2 |
| SPLASH |
splash10-0f6t-4900000000-8827b62a4d79d1dda3f9 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001142 |
