| SpectraBase Spectrum ID |
FuDVUvc3QTC |
| Name |
(E)-Isosafrole |
| Alternate Name(s) |
Isosafrole |
| CAS Registry Number |
4043-71-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H10O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness) |
| GC Oven Program |
60 ??C to 246 ??C at 3 ??C/min. |
| InChI |
InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+ |
| InChIKey |
VHVOLFRBFDOUSH-NSCUHMNNSA-N |
| Molecular Weight |
162.188 g/mol |
| SMILES |
c12c(ccc(c2)\C=C\C)OCO1 |
| SPLASH |
splash10-0ik9-4900000000-907abae2eb123eb87030 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1886549 |
