(-)-[1-(HYDROXYMETHYL)-3-METHYLBUTYL]CARBAMIC ACID, HEPTAMOLECULAR ESTER, METHYL ESTER, ACETATE (ESTER)

SpectraBase Compound ID	AEtt7IE7ZRJ
InChI	InChI=1S/C52H97N7O16/c1-31(2)17-39(24-69-38(15)60)54-47(62)71-26-41(19-33(5)6)56-49(64)73-28-43(21-35(9)10)58-51(66)75-30-45(23-37(13)14)59-52(67)74-29-44(22-36(11)12)57-50(65)72-27-42(20-34(7)8)55-48(63)70-25-40(18-32(3)4)53-46(61)68-16/h31-37,39-45H,17-30H2,1-16H3,(H,53,61)(H,54,62)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)
InChIKey	WUIUECDYTCHTHR-UHFFFAOYSA-N Google Search
Mol Weight	1076.4 g/mol
Molecular Formula	C52H97N7O16
Exact Mass	1075.69918 g/mol

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SpectraBase Spectrum ID	HAf0jIvwdJG
Name	(-)-[1-(HYDROXYMETHYL)-3-METHYLBUTYL]CARBAMIC ACID, HEPTAMOLECULAR ESTER, METHYL ESTER, ACETATE (ESTER)
Source of Sample	Y. Iwakura & K. Iwata, University of Tokyo, Tokyo, Japan
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C52H97N7O16
InChI	InChI=1S/C52H97N7O16/c1-31(2)17-39(24-69-38(15)60)54-47(62)71-26-41(19-33(5)6)56-49(64)73-28-43(21-35(9)10)58-51(66)75-30-45(23-37(13)14)59-52(67)74-29-44(22-36(11)12)57-50(65)72-27-42(20-34(7)8)55-48(63)70-25-40(18-32(3)4)53-46(61)68-16/h31-37,39-45H,17-30H2,1-16H3,(H,53,61)(H,54,62)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)
InChIKey	WUIUECDYTCHTHR-UHFFFAOYSA-N
Literature Reference	Abstract-Chemical Abstracts= 67, 109125(1967)
Melting Point	164.5-165.5C
Molecular Weight	1076.379480
Synonyms	CARBAMIC ACID, /1-/HYDROXYMETHYL/- 3-METHYLBUTYL/-, HEPTAMOLECULAR ESTER, METHYL ESTER, ACETATE /ESTER/, /MINUS/-,
Technique	FILM (CAST FROM CHCl3)