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3-(1-adamantylamino)-4-ethoxy-cyclobut-3-ene-1,2-dione
SpectraBase Compound ID ALJkZUstbJD
InChI InChI=1S/C16H21NO3/c1-2-20-15-12(13(18)14(15)19)17-16-6-9-3-10(7-16)5-11(4-9)8-16/h9-11,17H,2-8H2,1H3
InChIKey FDVDLYPWFVAJID-UHFFFAOYSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HBbk2GX0xU
Name 3-(1-adamantylamino)-4-ethoxy-cyclobut-3-ene-1,2-dione
CAS Registry Number 131588-99-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-2-20-15-12(13(18)14(15)19)17-16-6-9-3-10(7-16)5-11(4-9)8-16/h9-11,17H,2-8H2,1H3
InChIKey FDVDLYPWFVAJID-UHFFFAOYSA-N
Molecular Weight 275.348 g/mol
SMILES N(C1=C(OCC)C(C1=O)=O)C12CC3CC(C2)CC(C1)C3
SPLASH splash10-052p-9510000000-9e553f584c727b38575c
Source of Spectrum K-124-1218-3
Synonyms 3-(1-adamantylamino)-4-ethoxy-cyclobut-3-ene-1,2-quinone
Wiley ID 1279198