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Chaloxone
SpectraBase Compound ID 9NySXx50iI3
InChI InChI=1S/C7H8O4/c1-10-4-2-3(8)6-7(11-6)5(4)9/h2-3,6-8H,1H3/t3-,6+,7-/m0/s1
InChIKey YDDFVLGMVIJMMI-TYMKMJBOSA-N
Mol Weight 156.14 g/mol
Molecular Formula C7H8O4
Exact Mass 156.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmIwjdIYtbx
Name Chaloxone
Alternate Name(s) (1R,2S,6R)-4-methoxy-2-oxidanyl-7-oxabicyclo[4.1.0]hept-3-en-5-one
CAS Registry Number 78472-10-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8O4
InChI InChI=1S/C7H8O4/c1-10-4-2-3(8)6-7(11-6)5(4)9/h2-3,6-8H,1H3/t3-,6+,7-/m0/s1
InChIKey YDDFVLGMVIJMMI-TYMKMJBOSA-N
Molecular Weight 156.137 g/mol
SMILES O[C@@]1([C@@]2([C@@](O2)(C(C(=C1)OC)=O)[H])[H])[H]
SPLASH splash10-014i-9600000000-4dcbc209114aeedebc25
Source of Spectrum SB-35-98-0
Wiley ID 1153204