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MPHP-M (oxo-carboxy-dihydro-) 2ME

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

MPHP-M (oxo-carboxy-dihydro-) 2ME
SpectraBase Compound ID Azk2IggSSMC
InChI InChI=1S/C19H27NO4/c1-4-5-7-16(20-13-6-8-17(20)21)18(23-2)14-9-11-15(12-10-14)19(22)24-3/h9-12,16,18H,4-8,13H2,1-3H3
InChIKey MFDJFIAAKYAELY-UHFFFAOYSA-N
Mol Weight 333.43 g/mol
Molecular Formula C19H27NO4
Exact Mass 333.194008 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3fe0zu3klXr
Name Mphp-m (oxo-carboxy-dihydro-) 2me P1114
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.194008349 u
Formula C19H27NO4
InChI InChI=1S/C19H27NO4/c1-4-5-7-16(20-13-6-8-17(20)21)18(23-2)14-9-11-15(12-10-14)19(22)24-3/h9-12,16,18H,4-8,13H2,1-3H3
InChIKey MFDJFIAAKYAELY-UHFFFAOYSA-N
Molecular Weight 333.428 g/mol
SMILES C=1C=C(C(C(CCCC)N2C(CCC2)=O)OC)C=CC1C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961774