| SpectraBase Compound ID | 6bzVc1YDMuH |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-5-9-19-15(17)13-7-6-8-14(10-13)16(18)20-12(4)11(2)3/h6-8,10-12H,5,9H2,1-4H3 |
| InChIKey | NBSJJCMQBWSTJY-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3CN56Iskon6 |
|---|---|
| Name | Isophthalic acid, 3-methylbut-2-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-5-9-19-15(17)13-7-6-8-14(10-13)16(18)20-12(4)11(2)3/h6-8,10-12H,5,9H2,1-4H3 |
| InChIKey | NBSJJCMQBWSTJY-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C(OC(C1=CC(C(OCCC)=O)=CC=C1)=O)(C(C)C)C |