| SpectraBase Spectrum ID |
I4BNECoWMBp |
| Name |
(rac)-(6-Methoxychroman-2-yl)acetic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.120509056 u |
| Formula |
C14H18O4 |
| InChI |
InChI=1S/C14H18O4/c1-3-17-14(15)9-12-5-4-10-8-11(16-2)6-7-13(10)18-12/h6-8,12H,3-5,9H2,1-2H3 |
| InChIKey |
ZQLSWRAENIXBHH-UHFFFAOYSA-N |
| Molecular Weight |
250.294 g/mol |
| SMILES |
C1=2OC(CCC2C=C(C=C1)OC)CC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825678 |
