| SpectraBase Spectrum ID |
3cDgRDv8i8T |
| Name |
1H-2-Benzopyran-3-acetic acid, 3,4-dihydro-.alpha.-methyl-, methyl ester, (R*,S*)-(.+-.)- |
| CAS Registry Number |
84801-02-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O3 |
| InChI |
InChI=1S/C13H16O3/c1-9(13(14)15-2)12-7-10-5-3-4-6-11(10)8-16-12/h3-6,9,12H,7-8H2,1-2H3/t9-,12+/m0/s1 |
| InChIKey |
VGZHURYAHMDRHU-JOYOIKCWSA-N |
| Molecular Weight |
220.268 g/mol |
| SMILES |
[C@@]([C@@]1(OCc2c(C1)cccc2)[H])(C(=O)OC)(C)[H] |
| SPLASH |
splash10-0kai-1910000000-f6c3de2a20210fd52818 |
| Source of Spectrum |
C-105-2040-0 |
| Synonyms |
Methyl (2S)-2-[(3R)-3,4-dihydro-1H-2-benzopyran-3-yl]propanoate
Methyl(2RS,3RS)-2-(isochroman-3-yl)propanoate
Methyl(2RS,3SR)-2-(isochroman-3-yl)propanoate |
| Wiley ID |
1219877 |
