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(2S,2'S)-2'-iodo-2',3',4,5-tetrahydro-3H-spiro[furan-2,1'-indene]
SpectraBase Compound ID I1mt8l27sms
InChI InChI=1S/C12H13IO/c13-11-8-9-4-1-2-5-10(9)12(11)6-3-7-14-12/h1-2,4-5,11H,3,6-8H2/t11-,12-/m0/s1
InChIKey TVGZPHXJIXOVHY-RYUDHWBXSA-N
Mol Weight 300.14 g/mol
Molecular Formula C12H13IO
Exact Mass 300.00111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hSm6rld4Tt
Name (2S,2'S)-2'-iodo-2',3',4,5-tetrahydro-3H-spiro[furan-2,1'-indene]
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13IO
InChI InChI=1S/C12H13IO/c13-11-8-9-4-1-2-5-10(9)12(11)6-3-7-14-12/h1-2,4-5,11H,3,6-8H2/t11-,12-/m0/s1
InChIKey TVGZPHXJIXOVHY-RYUDHWBXSA-N
Instrument Name Shimadzu GCMS-QP5050A
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202100605
Molecular Weight 300.139 g/mol
Optical Rotation [a]D23 = +29.3 (c = 1.42, CHCl3)
SMILES [C@@]12(OCCC2)c2c(C[C@@]1(I)[H])cccc2
SPLASH splash10-00di-0900000000-c276e654ee24b3756d96
Sample Comments er = 66:34
Source of Spectrum ASC-363-SM26-14a
Wiley ID 1851270