| SpectraBase Compound ID | LnMbNQEH5bH |
|---|---|
| InChI | InChI=1S/C18H17NO6/c1-12(2)11-24-17(20)15-5-3-4-6-16(15)18(21)25-14-9-7-13(8-10-14)19(22)23/h3-10,12H,11H2,1-2H3 |
| InChIKey | YRICXTQBISQAFF-UHFFFAOYSA-N |
| Mol Weight | 343.34 g/mol |
| Molecular Formula | C18H17NO6 |
| Exact Mass | 343.105587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6k1xW9F6yRW |
|---|---|
| Name | Phthalic acid, isobutyl 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.105587265 u |
| Formula | C18H17NO6 |
| InChI | InChI=1S/C18H17NO6/c1-12(2)11-24-17(20)15-5-3-4-6-16(15)18(21)25-14-9-7-13(8-10-14)19(22)23/h3-10,12H,11H2,1-2H3 |
| InChIKey | YRICXTQBISQAFF-UHFFFAOYSA-N |
| Molecular Weight | 343.335 g/mol |
| SMILES | CC(COC(C1=CC=CC=C1C(OC1=CC=C(C=C1)N(=O)=O)=O)=O)C |