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2-{1'-[c-(4''-(Hydroxymethyl)-t-2''-iodo-r-1''-cyclopentyl]-1'H-1',2',3'-triazol-4'-yl}-benzaldehyde

View entire compound with spectra: 1 MS (GC)

2-{1'-[c-(4''-(Hydroxymethyl)-t-2''-iodo-r-1''-cyclopentyl]-1'H-1',2',3'-triazol-4'-yl}-benzaldehyde
SpectraBase Compound ID FTUrQdgfXbn
InChI InChI=1S/C15H16IN3O2/c16-13-5-10(8-20)6-15(13)19-7-14(17-18-19)12-4-2-1-3-11(12)9-21/h1-4,7,9-10,13,15,20H,5-6,8H2/t10-,13-,15-/m0/s1
InChIKey HBYDKUWMVKOVJS-XEGUGMAKSA-N
Mol Weight 397.22 g/mol
Molecular Formula C15H16IN3O2
Exact Mass 397.028722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUwxyRg0nQZ
Name 2-{1'-[c-(4''-(Hydroxymethyl)-t-2''-iodo-r-1''-cyclopentyl]-1'H-1',2',3'-triazol-4'-yl}-benzaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16IN3O2
InChI InChI=1S/C15H16IN3O2/c16-13-5-10(8-20)6-15(13)19-7-14(17-18-19)12-4-2-1-3-11(12)9-21/h1-4,7,9-10,13,15,20H,5-6,8H2/t10-,13-,15-/m0/s1
InChIKey HBYDKUWMVKOVJS-XEGUGMAKSA-N
Molecular Weight 397.216 g/mol
SMILES OC[C@@]1(C[C@]([n]2nnc(c2)-c2c(C=O)cccc2)([C@](C1)(I)[H])[H])[H]
SPLASH splash10-014i-3529000000-2ce1cdfd77bf14df3f01
Source of Spectrum F5-5-3811-28a
Synonyms 2-{1'-[c-(4''-(Hydroxymethyl)phenyl)-t-2'-iodo-r-1'-cyclopentyl]-1H-1',2',3'-triazol-4'-yl]-benzaldehyde 2-(1-((1S,2S,4R)-4-(hydroxymethyl)-2-iodocyclopentyl)-1H-1,2,3-triazol-4-yl)benzaldehyde
Wiley ID 1733313