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(+-)-(3aR,7aR)-4-Bromo-1,3,3a,6,7,7a-hexahydroisobenzofuran-1-one
SpectraBase Compound ID HEQoclU9lfA
InChI InChI=1S/C8H9BrO2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h3,5-6H,1-2,4H2/t5-,6+/m1/s1
InChIKey RFEBEWDPKOUTAC-RITPCOANSA-N
Mol Weight 217.06 g/mol
Molecular Formula C8H9BrO2
Exact Mass 215.978593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKNxUuf8NNS
Name (+-)-(3aR,7aR)-4-Bromo-1,3,3a,6,7,7a-hexahydroisobenzofuran-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9BrO2
InChI InChI=1S/C8H9BrO2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h3,5-6H,1-2,4H2/t5-,6+/m1/s1
InChIKey RFEBEWDPKOUTAC-RITPCOANSA-N
Molecular Weight 217.062 g/mol
SMILES C1(OC[C@@]2(C(=CCC[C@@]12[H])Br)[H])=O
SPLASH splash10-00or-8590000000-39177e7a6125e3a2cb4f
Source of Spectrum QE-8-748-23
Synonyms (3aR,7aR)-4-bromo-3a,6,7,7a-tetrahydro-2-benzofuran-1(3H)-one
Wiley ID 1557178