| SpectraBase Spectrum ID |
2TDQIYJcFbE |
| Name |
1H-2-Benzopyran-3-acetic acid, 3,4-dihydro-1-methyl-, methyl ester, trans-(.+-.)- |
| Alternate Name(s) |
Methyl[(1S,3R)-1-methyl-3,4-dihydro-1H-2-benzopyran-3-yl]acetate
trans(1-methylisochroman-3-yl)acetate |
| CAS Registry Number |
84800-99-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O3 |
| InChI |
InChI=1S/C13H16O3/c1-9-12-6-4-3-5-10(12)7-11(16-9)8-13(14)15-2/h3-6,9,11H,7-8H2,1-2H3/t9-,11+/m0/s1 |
| InChIKey |
BBRPSBVRUQVIIF-GXSJLCMTSA-N |
| Molecular Weight |
220.268 g/mol |
| SMILES |
[C@@]1(O[C@](Cc2ccccc12)(CC(=O)OC)[H])(C)[H] |
| SPLASH |
splash10-00kb-0940000000-54f378d05ede980ec231 |
| Source of Spectrum |
C-105-2040-0 |
| Wiley ID |
1219876 |
