| SpectraBase Spectrum ID |
318ntEDSk3u |
| Name |
1,3,6-Trimethylisochromane |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
176.120115134 u |
| Formula |
C12H16O |
| InChI |
InChI=1S/C12H16O/c1-8-4-5-12-10(3)13-9(2)7-11(12)6-8/h4-6,9-10H,7H2,1-3H3 |
| InChIKey |
DYPDXMHTLKGLPL-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201601560 |
| Molecular Weight |
176.259 g/mol |
| Quality |
197 |
| Reported Formula |
C12H16O |
| SMILES |
CC1=CC2=C(C=C1)C(OC(C2)C)C |
| SPLASH |
splash10-03di-0900000000-77a4996a61dad8328ec0 |
| Sample Comments |
dr = 3:1 |
| Source of Spectrum |
ACI-55-SM34-9 (DOI: 10.1002/anie.201601560) |
| Thin-Layer Chromatography |
0.5 (n-hexane/EtOAc: 50/1->20/1; n-hexane/EtOAc = 10/1) |
| Wiley ID |
1904469 |
