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Spiro[furo[2,3-d]-1,3-dioxole-6(5H),3'-[3H]pyrazol]-5'-ol, 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3a,4',5',6a-tetrahydro-2,2,5'-trimethyl-, acetate (ester), [3aR-[3a.alpha.,5.alpha.(R*),6.beta.(S*),6a.alpha.]]-
SpectraBase Compound ID VJ6PSzsGhD
InChI InChI=1S/C17H26N2O7/c1-9(20)23-16(6)8-17(19-18-16)11(10-7-21-14(2,3)24-10)22-13-12(17)25-15(4,5)26-13/h10-13H,7-8H2,1-6H3/t10?,11-,12+,13-,16-,17-/m1/s1
InChIKey CQURZGDKFJZYNJ-YJKMCPIBSA-N
Mol Weight 370.4 g/mol
Molecular Formula C17H26N2O7
Exact Mass 370.174001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9eMIWLGBMes
Name Spiro[furo[2,3-d]-1,3-dioxole-6(5H),3'-[3H]pyrazol]-5'-ol, 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3a,4',5',6a-tetrahydro-2,2,5'-trimethyl-, acetate (ester), [3aR-[3a.alpha.,5.alpha.(R*),6.beta.(S*),6a.alpha.]]-
Alternate Name(s) (1R,2S,3aR,5'R,6aR)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5,5,5'-trimethyl-4',5',2,3a,5,6a-hexahydrospiro[furo[2,3-d][1,3]dioxole-1,3'-pyrazole]-5'-yl acetate (3'R)-spiro(3-desoxy[1,2:5,6]di-O-isopropylidene-3:5'-.alpha.-D-allofuranose-3'-acetoxy-3'-methyl-.delta.1-pyrazoline)
CAS Registry Number 74920-31-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26N2O7
InChI InChI=1S/C17H26N2O7/c1-9(20)23-16(6)8-17(19-18-16)11(10-7-21-14(2,3)24-10)22-13-12(17)25-15(4,5)26-13/h10-13H,7-8H2,1-6H3/t10?,11-,12+,13-,16-,17-/m1/s1
InChIKey CQURZGDKFJZYNJ-YJKMCPIBSA-N
Molecular Weight 370.402 g/mol
SMILES [C@]12([C@@]3([C@](OC(O3)(C)C)([H])O[C@@]1(C1OC(C)(C)OC1)[H])[H])N=N[C@@](C2)(OC(=O)C)C
SPLASH splash10-0udi-0901000000-766cdb561cc407250795
Source of Spectrum H-63-364-9
Wiley ID 1354077