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(3R(S),3aS(R),6aR(S))-3-Iodo-1,2,3,3a,4,6a-hexahydropentalene
SpectraBase Compound ID By3xjbVW1Hm
InChI InChI=1S/C8H11I/c9-8-5-4-6-2-1-3-7(6)8/h1-2,6-8H,3-5H2/t6-,7-,8+/m1/s1
InChIKey ONNZRBFKMBNRCR-PRJMDXOYSA-N
Mol Weight 234.08 g/mol
Molecular Formula C8H11I
Exact Mass 233.990545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwZWwdnYanL
Name (3R(S),3aS(R),6aR(S))-3-Iodo-1,2,3,3a,4,6a-hexahydropentalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11I
InChI InChI=1S/C8H11I/c9-8-5-4-6-2-1-3-7(6)8/h1-2,6-8H,3-5H2/t6-,7-,8+/m1/s1
InChIKey ONNZRBFKMBNRCR-PRJMDXOYSA-N
Molecular Weight 234.080 g/mol
SMILES [C@]12([C@](C=CC2)(CC[C@@]1(I)[H])[H])[H]
SPLASH splash10-0a6r-5900000000-d870d7d0832b2070cfc2
Source of Spectrum KC-61-11181-7
Synonyms (3S,3aR,6aS)-3-iodo-1,2,3,3a,4,6a-hexahydropentalene
Wiley ID 1631250