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Butanoic acid, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-
SpectraBase Compound ID DfRkByqROUs
InChI InChI=1S/C26H45NO4S/c1-4-11-24(28)31-23-18-20-16-17-26(23,25(20,2)3)19-32(29,30)27(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h20-23H,4-19H2,1-3H3/t20?,23?,26-/m1/s1
InChIKey CIOKQHMTSYBZAM-UEFMTQSISA-N
Mol Weight 467.7 g/mol
Molecular Formula C26H45NO4S
Exact Mass 467.30693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGQ0wDUrRPR
Name Butanoic acid, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-
CAS Registry Number 106748-93-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H45NO4S
InChI InChI=1S/C26H45NO4S/c1-4-11-24(28)31-23-18-20-16-17-26(23,25(20,2)3)19-32(29,30)27(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h20-23H,4-19H2,1-3H3/t20?,23?,26-/m1/s1
InChIKey CIOKQHMTSYBZAM-UEFMTQSISA-N
Molecular Weight 467.709 g/mol
SMILES C(S(N(C1CCCCC1)C1CCCCC1)(=O)=O)[C@@]12C(C(CC2)CC1OC(=O)CCC)(C)C
SPLASH splash10-05fr-9200000000-b33aa78507cdb2cdbbcc
Source of Spectrum F-44-5546-13
Synonyms (1S)-1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl butyrate (2S)-2-Aminobutanoic acid (2S)-2-aminobutanoic acid hydrochloride
Wiley ID 1392198