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dl-Xylo-hexonic acid, 4,5-anhydro-2,3,6-trideoxy-3-(dimethylamino)-, methyl ester
SpectraBase Compound ID EKcj8UNCOKq
InChI InChI=1S/C9H17NO3/c1-6-9(13-6)7(10(2)3)5-8(11)12-4/h6-7,9H,5H2,1-4H3
InChIKey MPIPEYCKNLQVNB-UHFFFAOYSA-N
Mol Weight 187.24 g/mol
Molecular Formula C9H17NO3
Exact Mass 187.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8B4QQWU4WQ
Name DL-xylo-Hexonic acid, 4,5-anhydro-2,3,6-trideoxy-3-(dimethylamino)-, methyl ester
CAS Registry Number 70075-36-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17NO3
InChI InChI=1S/C9H17NO3/c1-6-9(13-6)7(10(2)3)5-8(11)12-4/h6-7,9H,5H2,1-4H3
InChIKey MPIPEYCKNLQVNB-UHFFFAOYSA-N
Molecular Weight 187.239 g/mol
SMILES C1(OC1C)C(CC(=O)OC)N(C)C
SPLASH splash10-001i-0900000000-ca7b00e0e0a6df97e6a1
Source of Spectrum K-112-724-4
Synonyms Methyl 4,5-anhydro-2,3,6-trideoxy-3-(dimethylamino)hexonate Methyl ester of 3-dimethylamino-4,5-epoxy-2,3,6-trideoxy-DL-lyxo- or -xylo-hexanoic acid
Wiley ID 1183754