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5-Isopropyl-1,3-cyclohexanedione hydrate
SpectraBase Compound ID A6QQdubQ1mG
InChI InChI=1S/C9H14O2.H2O/c1-6(2)7-3-8(10)5-9(11)4-7;/h6-7H,3-5H2,1-2H3;1H2
InChIKey JYJVWRORYGGPHA-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID J79NUXplL8
Name 5-Isopropyl-1,3-cyclohexanedione hydrate
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number H27435
Lot Number 10191512
CAS Registry Number 18456-87-6
Color Properties White to Cream
Copyright Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H14O2.H2O/c1-6(2)7-3-8(10)5-9(11)4-7;/h6-7H,3-5H2,1-2H3;1H2
InChIKey JYJVWRORYGGPHA-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Physical State Solid
Purity 99%
Source of Spectrum Bio-Rad Laboratories, Inc.
Synonyms 5-(Isopropyl)cyclohexane-1,3-dione H2O
Technique ATR-Neat (DuraSamplIR II)