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D-allo-Heptitol, 2,5-anhydro-6,7-dideoxy-2,4-di-C-methyl-
SpectraBase Compound ID 8skeC5FA5Tr
InChI InChI=1S/C9H18O4/c1-4-7(11)9(13-3)8(12)6(2)5-10/h6,8,10-12H,4-5H2,1-3H3/b9-7+
InChIKey AJNJXYPHKXUJJL-VQHVLOKHSA-N
Mol Weight 190.24 g/mol
Molecular Formula C9H18O4
Exact Mass 190.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DoPDsRuHM1
Name D-allo-Heptitol, 2,5-anhydro-6,7-dideoxy-2,4-di-C-methyl-
CAS Registry Number 98049-31-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O4
InChI InChI=1S/C9H18O4/c1-4-7(11)9(13-3)8(12)6(2)5-10/h6,8,10-12H,4-5H2,1-3H3/b9-7+
InChIKey AJNJXYPHKXUJJL-VQHVLOKHSA-N
Molecular Weight 190.239 g/mol
SMILES OCC(C(\C(=C/(O)CC)OC)O)C
SPLASH splash10-0006-9200000000-97a0eba1bde64282eebc
Source of Spectrum KC-1985-14-32
Synonyms (4E)-4-methoxy-2-methyl-4-heptene-1,3,5-triol 2,5-Anhydro-6,7-dideoxy-2,4-di-c-methyl-D-manno-heptitol
Wiley ID 1186314