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Benzoic acid, 2-amino-3-[[2-(5-methyl-2-furanyl)-1,3-dioxolan-2-yl]methoxy]-
SpectraBase Compound ID K1LL0qKgzwb
InChI InChI=1S/C16H17NO6/c1-10-5-6-13(23-10)16(21-7-8-22-16)9-20-12-4-2-3-11(14(12)17)15(18)19/h2-6H,7-9,17H2,1H3,(H,18,19)
InChIKey NTBKGTMWVZJGOR-UHFFFAOYSA-N
Mol Weight 319.31 g/mol
Molecular Formula C16H17NO6
Exact Mass 319.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 721ryxAWSh2
Name Benzoic acid, 2-amino-3-[[2-(5-methyl-2-furanyl)-1,3-dioxolan-2-yl]methoxy]-
CAS Registry Number 105918-42-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO6
InChI InChI=1S/C16H17NO6/c1-10-5-6-13(23-10)16(21-7-8-22-16)9-20-12-4-2-3-11(14(12)17)15(18)19/h2-6H,7-9,17H2,1H3,(H,18,19)
InChIKey NTBKGTMWVZJGOR-UHFFFAOYSA-N
Molecular Weight 319.313 g/mol
SMILES OC(c1c(c(ccc1)OCC1(c2oc(C)cc2)OCCO1)N)=O
SPLASH splash10-0udi-2900000000-7a39a087f5234a45c159
Source of Spectrum B-39-642-17
Synonyms 2-Amino-3-{[2-(5-methyl-2-furyl)-1,3-dioxolan-2-yl]methoxy}benzoic acid 2-Amino-3-{[2-(5-methylfuran-2-yl)-1,3-dioxolan-2-yl]methoxy}benzoic acid
Wiley ID 1319270