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5-methyl-3-heptanol, cyanoacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

5-methyl-3-heptanol, cyanoacetate
SpectraBase Compound ID E3TeZZthplm
InChI InChI=1S/C11H19NO2/c1-4-9(3)8-10(5-2)14-11(13)6-7-12/h9-10H,4-6,8H2,1-3H3
InChIKey CSPUQVXFUAUQSR-UHFFFAOYSA-N
Mol Weight 197.28 g/mol
Molecular Formula C11H19NO2
Exact Mass 197.141579 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6Ot6I9VADnV
Name 5-METHYL-3-HEPTANOL, CYANOACETATE
Source of Sample A. SAID, LONZA AG, VISP, SWITZERLAND
Boiling Point 135-136C/12mm
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H19NO2
InChI InChI=1S/C11H19NO2/c1-4-9(3)8-10(5-2)14-11(13)6-7-12/h9-10H,4-6,8H2,1-3H3
InChIKey CSPUQVXFUAUQSR-UHFFFAOYSA-N
Literature Reference Abstract-Chemical Abstracts= 81, 37210(1974)
Molecular Weight 197.278000
Optical Properties Index of Refraction= (20C) 1.4350
Synonyms 3-HEPTANOL, 5-METHYL-, CYANOACETATE CYANOACETIC ACID, 1-ETHYL-3-METHYLPENTYL ESTER ACETIC ACID, CYANO-, 1-ETHYL- 3-METHYLPENTYL ESTER
Technique CAPILLARY CELL: NEAT