SpectraBase Compound ID | 10eE9SHhypz |
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InChI | InChI=1S/C18H17NO6/c1-2-3-12-24-17(20)15-6-4-5-7-16(15)18(21)25-14-10-8-13(9-11-14)19(22)23/h4-11H,2-3,12H2,1H3 |
InChIKey | SKHPBDPICNRPGI-UHFFFAOYSA-N |
Mol Weight | 343.34 g/mol |
Molecular Formula | C18H17NO6 |
Exact Mass | 343.105587 g/mol |
SpectraBase Spectrum ID | HuwqvXmkvAa |
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Name | Phthalic acid, butyl 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/c1-2-3-12-24-17(20)15-6-4-5-7-16(15)18(21)25-14-10-8-13(9-11-14)19(22)23/h4-11H,2-3,12H2,1H3 |
InChIKey | SKHPBDPICNRPGI-UHFFFAOYSA-N |
Molecular Weight | 343.335 g/mol |
SMILES | C(C1=C(C=CC=C1)C(OC1=CC=C(C=C1)N(=O)=O)=O)(OCCCC)=O |