| SpectraBase Compound ID | IjTJynk25zp |
|---|---|
| InChI | InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2 |
| InChIKey | ZMQAAUBTXCXRIC-UHFFFAOYSA-N |
| Mol Weight | 162.19 g/mol |
| Molecular Formula | C10H10O2 |
| Exact Mass | 162.06808 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2NK1myUAcwc |
|---|---|
| Name | Safrole |
| Catalog Number | 13894 |
| CAS Registry Number | 94-59-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H10O2 |
| InChI | InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2 |
| InChIKey | ZMQAAUBTXCXRIC-UHFFFAOYSA-N |
| Molecular Weight | 162.188 g/mol |
| SMILES | c12c(cc(cc2)CC=C)OCO1 |
| SPLASH | splash10-0w4i-5900000000-6e302b8a5f4cc75d9013 |
| Source of Spectrum | CAY-2023-1476-0 |
| Wiley ID | 1889413 |