Debug Info

object
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_id
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A4usJdn449a
spectrumID
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A4usJdn449a
cost
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specType
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131072
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WMS3X:303661:1
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Cyclohexanepropanoic acid, 3,4-bis(acetyloxy)-
SpectraBase Compound ID 6iMUEUvrpnu
InChI InChI=1S/C13H20O6/c1-8(14)18-11-5-3-10(4-6-13(16)17)7-12(11)19-9(2)15/h10-12H,3-7H2,1-2H3,(H,16,17)
InChIKey CGFJSBGQBUMSFE-UHFFFAOYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C13H20O6
Exact Mass 272.125988 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4usJdn449a
Name 3-[3,4-Bis(acetyloxy)cyclohexyl]propanoic acid
CAS Registry Number 77828-55-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O6
InChI InChI=1S/C13H20O6/c1-8(14)18-11-5-3-10(4-6-13(16)17)7-12(11)19-9(2)15/h10-12H,3-7H2,1-2H3,(H,16,17)
InChIKey CGFJSBGQBUMSFE-UHFFFAOYSA-N
Molecular Weight 272.297 g/mol
SMILES OC(CCC1CC(C(CC1)OC(C)=O)OC(C)=O)=O
SPLASH splash10-0006-9300000000-a5ee2512ff2c53899d25
Source of Spectrum W5-0-0-0
Synonyms 3-(3,4-diacetoxycyclohexyl)propanoic acid 3-(3,4-diacetoxycyclohexyl)propionic acid 3-(3,4-diacetyloxycyclohexyl)propanoic acid Cyclohexanepropanoic acid, 3,4-bis(acetyloxy)-
Wiley ID 1275874
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