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Spiro[cyclohexane-1,4'-[4H][1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine]-2',6'(3'H,5'H)-dione, 8',10',12',13',13'a,13'b-hexahydro-, [13'aS-(13'aR*,13'bS*)]-

View entire compound with spectra: 1 MS (GC)

Spiro[cyclohexane-1,4'-[4H][1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine]-2',6'(3'H,5'H)-dione, 8',10',12',13',13'a,13'b-hexahydro-, [13'aS-(13'aR*,13'bS*)]-
SpectraBase Compound ID DYQirTCetky
InChI InChI=1S/C18H25NO4/c20-15-10-18(6-2-1-3-7-18)11-16(21)23-14-5-9-19-8-4-13(12-22-15)17(14)19/h4,14,17H,1-3,5-12H2/t14-,17-/m0/s1
InChIKey QITPVJASLGTLMH-YOEHRIQHSA-N
Mol Weight 319.4 g/mol
Molecular Formula C18H25NO4
Exact Mass 319.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 926socNsJk2
Name Spiro[cyclohexane-1,4'-[4H][1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine]-2',6'(3'H,5'H)-dione, 8',10',12',13',13'a,13'b-hexahydro-, [13'aS-(13'aR*,13'bS*)]-
CAS Registry Number 117565-67-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO4
InChI InChI=1S/C18H25NO4/c20-15-10-18(6-2-1-3-7-18)11-16(21)23-14-5-9-19-8-4-13(12-22-15)17(14)19/h4,14,17H,1-3,5-12H2/t14-,17-/m0/s1
InChIKey QITPVJASLGTLMH-YOEHRIQHSA-N
Molecular Weight 319.401 g/mol
SMILES [C@@]12(OC(=O)CC3(CC(OCC=4[C@@]2(N(CC4)CC1)[H])=O)CCCCC3)[H]
SPLASH splash10-01mk-0930000000-7428ab6f472f18abf3cf
Source of Spectrum KC-1988-1167-6
Synonyms (+)-7,9-O,O'-(3,3-pentamethyleneglutaryl)heliotridine (1'S,16'S)-2',8'-dioxa-13'-azaspiro[cyclohexane-1,5'-tricyclo[8.5.1.0(13,16)]hexadecan]-10'-ene-3',7'-dione
Wiley ID 1319405