John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=101ihuQgOTk SpectraBase Spectrum ID=DZl019sY4Ok

(accessed ).
CYCLOHEPTANEACETIC ACID, 1-CARBOXY-,
SpectraBase Compound ID 101ihuQgOTk
InChI InChI=1S/C10H16O4.C10H14O3.H2O/c11-8(12)7-10(9(13)14)5-3-1-2-4-6-10;11-8-7-10(9(12)13-8)5-3-1-2-4-6-10;/h1-7H2,(H,11,12)(H,13,14);1-7H2;1H2
InChIKey AZJPOLMRBLJDCD-UHFFFAOYSA-N
Mol Weight 400.47 g/mol
Molecular Formula C20H32O8
Exact Mass 400.209718 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DZl019sY4Ok
Name CYCLOHEPTANEACETIC ACID, 1-CARBOXY-,
CAS Registry Number 67950-96-3
Copyright Copyright © 1980, 1981-2020 John Wiley & Sons, Inc. All Rights Reserved.
Detector Name TGS/TRIGLYCINE SULFATE/
Formula C10H16O4
InChI InChI=1S/C10H16O4.C10H14O3.H2O/c11-8(12)7-10(9(13)14)5-3-1-2-4-6-10;11-8-7-10(9(12)13-8)5-3-1-2-4-6-10;/h1-7H2,(H,11,12)(H,13,14);1-7H2;1H2
InChIKey AZJPOLMRBLJDCD-UHFFFAOYSA-N
Instrument Name DIGILAB FTS-14
Melting Point 164-165C
Molecular Weight 200.24
SpectraBase Batch ID 6STYKBvAI9q
Technique Vapor Phase