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D-Alloseptanose, 2,5-anhydro-3,4-O-(1-methylethylidene)-
SpectraBase Compound ID BKvwm9wQRvm
InChI InChI=1S/C9H14O5/c1-9(2)13-7-5(3-10)12-6(4-11)8(7)14-9/h3,5-8,11H,4H2,1-2H3/t5-,6+,7?,8?/m0/s1
InChIKey PVONWOCZRFFKGW-JAFIHTMFSA-N
Mol Weight 202.21 g/mol
Molecular Formula C9H14O5
Exact Mass 202.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQwwzxHg3P8
Name D-Alloseptanose, 2,5-anhydro-3,4-O-(1-methylethylidene)-
Alternate Name(s) 2,5-anhydro-3,4-O-(1-methylethylidene)-D-allose 2,5-Anhydro-3,4-O-isopropylidene-D-allose 4,8-Epoxy-1,3-dioxolo[4,5-d]oxepin, D-alloseptanose deriv.
CAS Registry Number 85761-44-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O5
InChI InChI=1S/C9H14O5/c1-9(2)13-7-5(3-10)12-6(4-11)8(7)14-9/h3,5-8,11H,4H2,1-2H3/t5-,6+,7?,8?/m0/s1
InChIKey PVONWOCZRFFKGW-JAFIHTMFSA-N
Molecular Weight 202.206 g/mol
SMILES OC[C@@]1(C2C([C@@](O1)(C=O)[H])OC(C)(C)O2)[H]
SPLASH splash10-000i-0900000000-c7a2376e8eea7b0e1250
Source of Spectrum I-61-315-11
Wiley ID 1199330