![2-[2-(3-hydroxypropyl)-1H-indol-3-yl]acetic acid methyl ester](/api/spectrum/BXrXUZg1gSb/structure.png?h=300&w=458 "2-[2-(3-hydroxypropyl)-1H-indol-3-yl]acetic acid methyl ester")
| SpectraBase Compound ID | GGU7DHIuxqq |
|---|---|
| InChI | InChI=1S/C14H17NO3/c1-18-14(17)9-11-10-5-2-3-6-12(10)15-13(11)7-4-8-16/h2-3,5-6,15-16H,4,7-9H2,1H3 |
| InChIKey | NNUFMUAULAIEBE-UHFFFAOYSA-N |
| Mol Weight | 247.29 g/mol |
| Molecular Formula | C14H17NO3 |
| Exact Mass | 247.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BXrXUZg1gSb |
|---|---|
| Name | 2-[2-(3-Hydroxypropyl)-1H-indol-3-yl]acetic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.120843408 u |
| Formula | C14H17NO3 |
| InChI | InChI=1S/C14H17NO3/c1-18-14(17)9-11-10-5-2-3-6-12(10)15-13(11)7-4-8-16/h2-3,5-6,15-16H,4,7-9H2,1H3 |
| InChIKey | NNUFMUAULAIEBE-UHFFFAOYSA-N |
| Molecular Weight | 247.294 g/mol |
| SMILES | C1(=C(NC2=C1C=CC=C2)CCCO)CC(=O)OC |