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Spiro[cyclohexane-1,8'-[4H-1,12]methano[8H][1,7]dioxacyclododecino[4,3-b]pyrrole]-6',10'(7'H,9'H)-dione, 2',3',3'a,12',13',13'a-hexahydro-, [3'aR-(3'aR*,12'R*,13'aR*)]-
SpectraBase Compound ID CX7xCdjWl3V
InChI InChI=1S/C18H27NO4/c20-16-9-18(5-2-1-3-6-18)10-17(21)23-14-8-15-13(12-22-16)4-7-19(15)11-14/h13-15H,1-12H2/t13-,14+,15+/m0/s1
InChIKey TZPRJOMOUWYJHN-RRFJBIMHSA-N
Mol Weight 321.42 g/mol
Molecular Formula C18H27NO4
Exact Mass 321.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6sW08ZuWKc2
Name Spiro[cyclohexane-1,8'-[4H-1,12]methano[8H][1,7]dioxacyclododecino[4,3-b]pyrrole]-6',10'(7'H,9'H)-dione, 2',3',3'a,12',13',13'a-hexahydro-, [3'aR-(3'aR*,12'R*,13'aR*)]-
Alternate Name(s) (-)-(1R,6R,8R)-6,9-O,O-(3,3-pentamethyleneglutaryl)-6-hydroxy-1-hydroxymethylpyrrolizidine (4'R,13'R,15'R)-6',12'-dioxa-1'-azaspiro[cyclohexane-1,9'-tricyclo[11.2.1.0(4,15)]hexadecane]-7',11'-dione
CAS Registry Number 125038-86-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO4
InChI InChI=1S/C18H27NO4/c20-16-9-18(5-2-1-3-6-18)10-17(21)23-14-8-15-13(12-22-16)4-7-19(15)11-14/h13-15H,1-12H2/t13-,14+,15+/m0/s1
InChIKey TZPRJOMOUWYJHN-RRFJBIMHSA-N
Molecular Weight 321.417 g/mol
SMILES [C@@]12(N3CC[C@]1(COC(CC1(CC(O[C@](C2)(C3)[H])=O)CCCCC1)=O)[H])[H]
SPLASH splash10-00di-0902000000-717e43eace120c5785c3
Source of Spectrum KC-1989-1342-12
Wiley ID 1320951