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(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienecarbonitrile
SpectraBase Compound ID KzW2nete2e1
InChI InChI=1S/C7H7NO2/c8-4-5-2-1-3-6(9)7(5)10/h1-3,6-7,9-10H/t6-,7+/m0/s1
InChIKey NKIDLXZFLYJKGO-NKWVEPMBSA-N
Mol Weight 137.14 g/mol
Molecular Formula C7H7NO2
Exact Mass 137.047678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CW9Pe2AVHcJ
Name (5S,6R)-5,6-dihydroxycyclohexa-1,3-dienecarbonitrile
Alternate Name(s) (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7NO2
InChI InChI=1S/C7H7NO2/c8-4-5-2-1-3-6(9)7(5)10/h1-3,6-7,9-10H/t6-,7+/m0/s1
InChIKey NKIDLXZFLYJKGO-NKWVEPMBSA-N
Literature Reference DOI 10.1002/cbic.201500653
Molecular Weight 137.138 g/mol
SMILES C(#N)C=1[C@]([C@](C=CC1)(O)[H])(O)[H]
SPLASH splash10-014i-4900000000-11562bc5ead0034fce83
Source of Spectrum CBC-17-291-SM5-3
Wiley ID 1794755