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Benzoic acid, 2-iodo-3-(2-propynyl)-
SpectraBase Compound ID FXL0KKtIW5Z
InChI InChI=1S/C10H7IO2/c1-2-4-7-5-3-6-8(9(7)11)10(12)13/h1,3,5-6H,4H2,(H,12,13)
InChIKey MVYBZQWNYQPTFJ-UHFFFAOYSA-N
Mol Weight 286.07 g/mol
Molecular Formula C10H7IO2
Exact Mass 285.949074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRV2FZkaQR1
Name Benzoic acid, 2-iodo-3-(2-propynyl)-
CAS Registry Number 131251-55-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7IO2
InChI InChI=1S/C10H7IO2/c1-2-4-7-5-3-6-8(9(7)11)10(12)13/h1,3,5-6H,4H2,(H,12,13)
InChIKey MVYBZQWNYQPTFJ-UHFFFAOYSA-N
Molecular Weight 286.068 g/mol
SMILES OC(c1c(c(CC#C)ccc1)I)=O
SPLASH splash10-06ri-0950000000-66c8b43427c04dba32a3
Source of Spectrum C-113-1322-8
Synonyms 2-iodo-3-(2-propynyl)benzoic acid
Wiley ID 1289280