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Amobarbital sodium in kbr

View entire compound with spectra: 1 Raman

Amobarbital sodium in kbr
SpectraBase Compound ID 2mDSYuaeYHm
InChI InChI=1S/C11H18N2O3.Na/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1
InChIKey BNHGKKNINBGEQL-UHFFFAOYSA-M
Mol Weight 248.26 g/mol
Molecular Formula C11H17N2NaO3
Exact Mass 248.113687 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID IjPT65Ds86Q
Name Amobarbital sodium in kbr
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.113686692 u
Formula C11H17N2NaO3
InChI InChI=1S/C11H18N2O3.Na/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1
InChIKey BNHGKKNINBGEQL-UHFFFAOYSA-M
Molecular Weight 248.258 g/mol
SMILES C(CC1(C(NC(=NC1=O)O[Na])=O)CC)C(C)C
Spectrum/Structure Validation Score (Raman) 0.846476