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2(3H)-Benzofuranone, 3a,6,7,7a-tetrahydro-7-iodo-3a-phenyl-, (3a.alpha.,7.alpha.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID CvMCJH2Ij9U
InChI InChI=1S/C14H13IO2/c15-11-7-4-8-14(9-12(16)17-13(11)14)10-5-2-1-3-6-10/h1-6,8,11,13H,7,9H2/t11-,13+,14+/m1/s1
InChIKey SSHUAFLBRBUIPO-XBFCOCLRSA-N
Mol Weight 340.16 g/mol
Molecular Formula C14H13IO2
Exact Mass 339.996025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZQUs1dmYgA
Name 2(3H)-Benzofuranone, 3a,6,7,7a-tetrahydro-7-iodo-3a-phenyl-, (3a.alpha.,7.alpha.,7a.alpha.)-(.+-.)-
CAS Registry Number 86983-25-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13IO2
InChI InChI=1S/C14H13IO2/c15-11-7-4-8-14(9-12(16)17-13(11)14)10-5-2-1-3-6-10/h1-6,8,11,13H,7,9H2/t11-,13+,14+/m1/s1
InChIKey SSHUAFLBRBUIPO-XBFCOCLRSA-N
Molecular Weight 340.160 g/mol
SMILES [C@@]12([C@@](OC(C2)=O)([C@](I)(CC=C1)[H])[H])c1ccccc1
SPLASH splash10-002f-1910000000-f3effc7584ffd0f25f4b
Source of Spectrum H-66-778-0
Synonyms (3aR,7R,7aR)-7-iodo-3a-phenyl-3a,6,7,7a-tetrahydro-1-benzofuran-2(3H)-one (3aRS,7RS,7aRS)-7-iodo-3a-phenyl-3a,6,7,7a-tetrahydo-2(3H)-benzo[b]furanone
Wiley ID 1334847